data_2mx8_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mx8 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.542 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.3 tt . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -74.13 73.79 1.74 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -132.64 -7.4 3.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.742 0.782 . . . . 0.0 109.96 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -155.32 120.92 2.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.674 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.89 -47.09 22.51 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.27 2.646 . . . . 0.0 113.121 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.49 94.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.841 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.406 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -68.07 -50.84 52.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.06 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.486 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.429 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -67.91 -26.59 66.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.842 177.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 53.1 m -61.82 -53.19 59.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.516 0.198 . . . . 0.0 110.891 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.542 ' SD ' HD13 ' A' ' 8' ' ' ILE . 22.4 ptt? -61.72 -37.49 84.39 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.603 -178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -63.18 -43.15 99.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.618 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.39 -39.79 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.778 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 90.1 m-20 -61.69 -35.65 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.762 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.92 -49.57 76.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.2 -45.24 96.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.026 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.5 pp0? -66.69 -33.22 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.612 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -68.57 -49.06 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.333 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.53 -27.87 63.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.498 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -68.65 -23.88 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.091 0.472 . . . . 0.0 110.765 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -108.2 19.66 19.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -79.4 -39.07 33.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.93 2.48 88.43 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -96.71 -43.45 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.421 -0.39 . . . . 0.0 111.044 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.97 164.66 26.32 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.379 0.609 . . . . 0.0 111.56 -175.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -90.13 171.97 9.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.225 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -31.26 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.94 -48.85 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.871 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 40' ' ' MET . 75.8 mt-30 -61.74 -40.16 94.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.194 -176.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.3 mtm -67.72 -25.14 65.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.716 0.294 . . . . 0.0 111.213 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.59 -32.87 17.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.175 0.512 . . . . 0.0 109.944 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 42' ' ' MET . 10.2 t70 -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.883 176.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 87.2 mtp -65.73 -25.8 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.827 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.38 -49.43 56.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.709 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.4 ptp -69.99 -24.75 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.32 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.483 ' SD ' HG22 ' A' ' 74' ' ' VAL . 39.4 ttp -67.24 -49.27 65.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.896 174.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.37 83.28 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.648 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -59.27 -41.49 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.467 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.573 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 47.7 t -63.72 -38.77 92.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.496 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 43' ' ' MET . 59.1 t -60.39 -52.59 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.828 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -68.08 -24.58 65.07 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.318 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -66.04 -50.74 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.908 0.385 . . . . 0.0 109.994 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 46' ' ' SER . 19.4 pt20 -77.95 -22.8 48.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.869 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -66.69 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -74.17 -17.6 60.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 0.0 110.564 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 9.2 mmpt? -93.43 4.27 54.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.134 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.631 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 50.0 ttm -73.4 -38.35 65.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.647 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.43 154.07 18.88 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.737 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.76 131.75 30.34 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.784 2.323 . . . . 0.0 111.497 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 58.54 80.15 0.29 Allowed Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 -170.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.631 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 72.7 Cg_exo -51.23 114.13 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.778 2.985 . . . . 0.0 113.903 -171.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.65 139.27 27.87 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.582 2.188 . . . . 0.0 111.464 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 14.0 pt20 -64.22 -21.81 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -69.18 -18.34 63.91 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.396 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -88.26 -34.94 17.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.259 0.552 . . . . 0.0 109.718 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.6 mt -68.11 -35.37 78.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.17 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 60' ' ' GLN . 3.4 mpt_? -69.86 -17.85 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.06 -34.06 11.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.442 ' HE1' ' HG3' ' A' ' 50' ' ' GLN . 32.7 tpp -63.15 -40.81 98.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.324 -175.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -58.08 -35.8 71.92 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.658 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -76.64 -37.31 56.54 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.357 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.17 82.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.745 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.508 ' O ' HG21 ' A' ' 74' ' ' VAL . 32.2 ttm -59.7 -52.99 63.13 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 109.752 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.55 -42.39 67.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.996 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.19 79.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.16 -31.46 25.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.008 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 70' ' ' MET . 70.9 t -67.45 -35.5 73.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 110.038 172.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -31.55 67.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.464 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.3 -44.92 92.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.505 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.96 -43.41 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.331 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -73.58 -33.63 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.049 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 -13.85 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.069 0.462 . . . . 0.0 111.312 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.7 m -84.77 -4.63 59.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.437 0.636 . . . . 0.0 110.204 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -91.19 137.45 26.31 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.994 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.68 158.53 53.2 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.482 2.121 . . . . 0.0 110.634 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.52 -26.62 46.21 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.877 2.385 . . . . 0.0 112.862 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -67.02 -44.05 81.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.164 0.507 . . . . 0.0 110.844 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -97.86 -12.66 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.621 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -50.92 -50.34 57.79 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.801 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -61.48 -37.18 82.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.654 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.03 -34.64 64.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.125 0.488 . . . . 0.0 110.522 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.71 -47.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.001 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -59.83 -42.25 93.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.052 178.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.6 -42.77 88.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.978 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.38 -50.45 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.1 mm -59.14 -48.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.956 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.75 73.22 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 113.38 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.82 -54.75 4.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.609 0.242 . . . . 0.0 110.809 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.5 m -60.58 -36.24 78.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.873 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.42 -40.76 95.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 109.879 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -65.6 -49.65 67.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.236 0.541 . . . . 0.0 110.589 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -54.55 -55.78 25.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.563 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -57.23 -36.22 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.892 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.6 mmm -54.69 -51.95 63.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 111.299 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.6 ptm -78.4 -27.15 46.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.414 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -75.31 -3.75 35.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.462 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.53 -68.11 0.74 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.445 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.7 t 178.68 -29.61 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.717 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.15 17.95 58.3 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.681 -171.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.3 m 60.42 -177.11 0.1 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.262 0.531 . . . . 0.0 110.701 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.32 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.764 0.793 . . . . 0.0 110.914 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.93 139.16 30.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.616 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -67.38 -35.24 78.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.65 -173.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 115' ' ' GLU . . . -60.75 -48.06 83.51 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.21 -45.39 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.9 p -66.59 -23.98 66.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 0.0 110.547 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -72.15 -52.17 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.266 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 54.2 mt-10 -57.4 -50.98 71.26 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.677 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 120' ' ' VAL . 87.2 t -57.43 -53.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.407 ' HE1' ' HA ' ' A' ' 117' ' ' MET . 0.0 OUTLIER -57.82 -49.7 75.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.303 0.241 . . . . 0.0 111.366 -177.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -58.32 -50.41 73.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.42 -43.35 77.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.84 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.1 -50.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 120.725 0.298 . . . . 0.0 110.75 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.952 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 50.9 ttp -67.09 -37.76 84.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.334 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.7 2.3 45.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.914 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.5 t -115.27 -29.94 6.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.628 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 121.66 0.743 . . . . 0.0 110.777 -177.638 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 121.348 0.594 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.49 ' HB3' ' HE1' ' A' ' 54' ' ' MET . 90.8 m95 -85.05 11.72 9.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.333 -178.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.7 p -82.77 -15.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -135.69 118.2 12.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.79 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 99.6 Cg_exo -44.88 -48.4 10.8 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 123.602 2.868 . . . . 0.0 113.291 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.21 -34.71 78.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -49.01 58.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -64.65 -44.97 88.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.116 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.49 ' HA ' ' HE3' ' A' ' 16' ' ' MET . 0.3 OUTLIER -62.45 -33.85 75.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.078 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -59.25 -48.54 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.638 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -70.83 -29.16 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.012 -177.72 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -67.52 -49.93 61.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.701 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -69.09 -35.69 76.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.408 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.8 m-20 -66.61 -25.92 66.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.9 -46.41 65.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.13 -47.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.082 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.408 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.1 pp0? -60.85 -30.02 69.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.78 0.324 . . . . 0.0 110.789 -178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.56 -49.27 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.343 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.02 71.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.603 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 t -72.25 -15.3 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -113.92 10.27 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -70.15 -50.96 35.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.404 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.52 3.72 77.59 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.189 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -98.4 -37.86 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.446 0.641 . . . . 0.0 109.842 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.83 160.26 20.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.493 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.7 p -79.11 166.3 22.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.9 -27.58 68.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.705 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -78.46 -51.29 10.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.642 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.2 -36.01 74.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.406 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.3 mtm -69.69 -27.81 65.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.098 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -82.1 -33.15 29.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 109.983 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.68 -33.94 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.196 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.502 ' SD ' HG23 ' A' ' 77' ' ' VAL . 88.0 mmm -54.19 -44.75 71.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.869 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.03 71.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.614 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.0 mtm -69.15 -38.8 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.226 -0.189 . . . . 0.0 111.204 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.554 ' O ' HG21 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -78.33 -29.94 47.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.067 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.48 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.86 -41.13 95.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.966 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 t -70.87 -30.91 67.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.688 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 43' ' ' MET . 90.8 t -59.21 -51.2 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.445 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.469 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 8.1 p30 -68.51 -34.19 75.44 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.507 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.527 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.1 m -60.74 -46.04 91.96 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 177.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -70.54 -34.94 72.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.798 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.79 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 6.6 tmm? -69.23 -39.9 78.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.602 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -71.6 -31.28 66.75 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.686 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 49' ' ' SER . 61.1 pttt -91.65 14.31 15.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.017 0.436 . . . . 0.0 111.001 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.498 ' HE3' ' HG3' ' A' ' 66' ' ' MET . 36.9 ttm -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.49 143.79 5.82 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.133 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.11 125.79 13.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.683 2.256 . . . . 0.0 111.298 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 50.63 69.73 2.43 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.44 134.95 29.94 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.524 2.149 . . . . 0.0 113.405 -170.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.9 152.47 77.08 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 0.0 111.078 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.56 -21.61 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -76.77 -14.61 59.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.018 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -89.04 -31.44 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.72 -47.46 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.542 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -43.31 61.84 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.456 -174.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . -87.23 14.68 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -177.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.498 ' HG3' ' HE3' ' A' ' 54' ' ' MET . 71.6 mmm -114.72 -43.11 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 177.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -44.58 96.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.002 0.429 . . . . 0.0 109.996 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.0 m -68.79 -31.82 71.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.819 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 65' ' ' ALA . . . -63.1 -52.49 62.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.585 -177.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.479 ' O ' HG23 ' A' ' 74' ' ' VAL . 59.7 ttp -62.64 -44.07 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 109.992 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.66 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.154 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.462 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.81 -27.07 40.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.134 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 70' ' ' MET . 99.6 t -69.67 -34.98 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -27.06 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.427 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.67 -45.68 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.467 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.502 HG23 ' SD ' ' A' ' 40' ' ' MET . 14.1 m -76.5 -28.79 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.634 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 74' ' ' VAL . 64.5 t -68.98 -27.29 34.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.323 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.0 -18.04 65.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -89.93 -2.28 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.383 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m -94.75 123.07 59.06 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.13 150.25 77.04 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.3 2.0 . . . . 0.0 111.749 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.65 -25.97 28.01 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.122 2.548 . . . . 0.0 113.199 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p -95.11 6.5 48.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.36 -42.81 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 51.3 m -75.58 4.72 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.745 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.31 -35.99 6.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 93' ' ' ILE . 99.7 t -71.86 -54.2 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.014 178.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.55 -37.99 79.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.558 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 87' ' ' SER . 6.2 t-20 -60.05 -46.02 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.284 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -61.95 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.937 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.2 mm -56.68 -54.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.77 95.89 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.454 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.51 75.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.797 0.332 . . . . 0.0 111.882 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.7 m -72.32 -40.08 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.299 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.0 -38.46 91.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.287 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -55.34 -52.4 63.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.729 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 100' ' ' SER . 2.3 pt-20 -71.2 -37.8 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.068 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.604 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 60.0 m -56.5 -33.8 66.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.374 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.5 mmm -60.19 -48.33 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 14.5 ptm -80.89 -26.33 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.358 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.88 -10.55 59.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 110.623 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.446 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -89.93 -61.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.336 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.7 t 174.07 -28.81 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.3 27.4 9.44 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.996 -169.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 81.4 p 48.37 -158.27 0.05 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.964 0.506 . . . . 0.0 111.353 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.4 t -111.62 104.26 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.171 0.51 . . . . 0.0 109.77 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.16 -175.24 5.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -137.44 21.23 2.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.136 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.67 -50.54 2.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.261 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -68.36 -51.38 44.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.601 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.7 p -55.02 -41.12 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.368 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -48.8 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.26 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.464 ' O ' HD12 ' A' ' 119' ' ' LEU . 26.5 tt0 -59.18 -47.75 84.14 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.5 -45.67 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.769 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.491 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 9.1 mmt -70.55 -9.5 56.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -98.22 -54.58 3.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 115' ' ' GLU . 10.0 mp -62.05 -42.28 99.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.977 -175.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.34 -26.94 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.267 0.556 . . . . 0.0 110.476 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -88.39 -50.1 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.258 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -69.6 -36.36 76.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.3 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.6 mt -82.09 -1.42 48.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.371 . . . . 0.0 110.695 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -112.75 -71.08 0.77 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.396 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.678 -177.6 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.525 ' CE3' ' HE3' ' A' ' 54' ' ' MET . 38.0 m95 -75.2 67.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.82 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -104.91 -30.97 9.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.518 0.675 . . . . 0.0 110.276 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -138.18 125.14 13.32 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.854 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.2 Cg_exo -46.2 -45.63 17.95 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.236 2.624 . . . . 0.0 112.912 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.52 -36.97 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.37 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -67.92 -45.32 74.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.586 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -65.58 -40.2 92.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.216 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -69.18 -21.5 63.97 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.414 177.293 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 94.9 m -60.99 -52.67 64.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.6 ptt? -65.18 -36.2 83.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.456 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -65.52 -44.84 85.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.622 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -67.91 -38.99 83.62 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.849 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.7 m-20 -62.77 -32.74 73.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.95 -44.55 89.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.209 0.528 . . . . 0.0 109.723 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.11 -47.49 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.954 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.9 pt20 -68.52 -24.85 64.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -75.09 -50.8 15.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.053 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.2 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 t -71.59 -12.82 61.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.068 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -124.25 19.63 8.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 p -74.44 -39.78 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.697 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.27 -16.45 59.75 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.25 -49.04 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.09 0.472 . . . . 0.0 110.472 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.44 153.2 40.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.312 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.506 ' O ' ' HG3' ' A' ' 37' ' ' MET . 4.5 t -90.14 164.84 14.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.54 64.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.64 -46.51 85.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.109 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' O ' ' HG2' ' A' ' 40' ' ' MET . 77.0 mt-30 -66.28 -36.22 82.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.659 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 33' ' ' THR . 55.6 mtt -64.42 -32.03 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.793 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.18 -42.11 56.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -34.61 74.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 92.7 mmm -61.94 -33.38 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.63 -44.25 82.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.258 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.2 -21.11 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.283 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -59.91 -46.22 90.06 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.33 82.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.657 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.3 -41.97 98.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.58 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.5 t -59.89 -50.15 74.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.019 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.45 -43.96 91.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.8 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -48.83 -53.03 20.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 t -62.06 -41.29 97.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.278 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 46' ' ' SER . 48.5 mt-30 -74.94 -33.29 61.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 0.0 110.95 -177.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 50.8 ttp -67.14 -26.5 66.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.76 -19.59 62.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.089 0.471 . . . . 0.0 110.607 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.497 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 10.3 mmpt? -90.45 -6.22 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.208 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.525 ' HE3' ' CE3' ' A' ' 9' ' ' TRP . 41.5 ttm -66.13 -67.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.652 -178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.77 151.22 13.54 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.185 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.36 145.9 67.03 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.938 2.425 . . . . 0.0 112.816 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 p30 37.99 69.77 1.39 Allowed Pre-proline 0 N--CA 1.47 0.559 0 O-C-N 124.392 1.057 . . . . 0.0 112.996 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -95.13 148.94 1.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.256 2.637 . . . . 0.0 113.02 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HD2' ' HG3' ' A' ' 62' ' ' ARG . 17.1 Cg_exo -63.26 160.7 33.68 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.82 2.347 . . . . 0.0 112.264 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -39.55 42.96 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -70.82 -19.41 62.67 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.452 ' HG3' ' HD2' ' A' ' 59' ' ' PRO . 25.6 mmm180 -73.37 -37.04 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 110.224 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.87 -25.9 43.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.469 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.51 10.38 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.278 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.49 -1.58 14.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.175 0.512 . . . . 0.0 110.199 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.465 ' HG3' ' HE2' ' A' ' 54' ' ' MET . 87.2 mmm -106.67 -23.03 12.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.814 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -52.1 -57.0 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.9 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.3 m -64.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -50.73 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.388 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.9 ttp -73.3 -43.54 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.151 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HA ' HG22 ' A' ' 120' ' ' VAL . . . -51.12 -48.35 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.118 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.97 -38.39 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.888 0.375 . . . . 0.0 110.573 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.03 -22.88 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.53 0.681 . . . . 0.0 109.885 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.0 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.463 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.13 -43.98 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.956 -175.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.0 m -71.65 -25.29 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 111.07 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.19 -28.57 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -23.25 66.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.063 0.458 . . . . 0.0 111.067 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -93.12 9.94 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.239 0.542 . . . . 0.0 110.893 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 m -94.41 125.26 52.68 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.72 147.7 69.94 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.696 2.264 . . . . 0.0 111.684 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.28 -42.28 27.46 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 123.418 2.745 . . . . 0.0 113.89 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -73.97 -36.89 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.846 0.355 . . . . 0.0 111.189 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.6 m -79.04 -18.2 53.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.556 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.35 -44.63 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.579 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.2 m -53.61 -39.12 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.76 -31.01 59.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 110.363 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.38 -11.49 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.922 0.868 . . . . 0.0 110.251 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -93.75 -57.29 2.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.421 174.463 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.86 -47.97 70.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.338 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -60.36 -51.12 70.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.671 0.272 . . . . 0.0 111.53 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.8 mm -58.76 -44.09 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.69 -43.34 94.48 Favored Glycine 0 C--N 1.329 0.143 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.683 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.2 75.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.61 -43.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.967 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.04 -42.47 97.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.887 0.375 . . . . 0.0 110.206 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -40.93 84.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 177.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -72.07 -58.72 3.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.5 p -51.74 -38.95 57.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.989 -173.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.7 ttt -60.91 -51.07 70.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.47 -177.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.8 ptm -79.07 -24.74 43.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.05 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.74 -11.91 61.22 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.112 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.69 -70.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.316 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.4 t 176.19 -36.71 0.01 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.692 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 30.32 3.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.211 -0.518 . . . . 0.0 113.338 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' A' ' 101' ' ' MET . 71.4 p 50.92 -166.7 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.196 0.599 . . . . 0.0 110.945 -176.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.62 107.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.495 0.664 . . . . 0.0 110.174 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.7 148.08 45.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.763 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -78.81 -25.21 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.799 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.87 -45.1 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.168 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -56.51 -43.41 79.71 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.328 0.393 . . . . 0.0 111.641 -176.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.0 p -55.76 -55.95 26.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.352 0.596 . . . . 0.0 110.396 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.66 -41.35 85.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.638 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -56.45 -59.2 5.32 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.914 0.886 . . . . 0.0 111.399 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.551 ' O ' HG21 ' A' ' 120' ' ' VAL . 12.1 p -68.36 -39.48 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 55.0 mmm -58.14 -52.26 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -63.25 -38.86 92.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 110.362 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.92 -43.31 98.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.752 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 116' ' ' VAL . 72.9 t -53.8 -44.91 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-O 121.085 0.469 . . . . 0.0 110.908 176.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.549 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 17.2 mmmt -73.6 -46.33 47.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.601 . . . . 0.0 110.677 -175.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.47 -27.83 69.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.737 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.8 mt -93.99 10.79 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.48 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.7 p -125.02 -60.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.476 178.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -83.89 33.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.307 -0.245 . . . . 0.0 110.646 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -61.46 -47.66 84.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.85 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.85 160.68 43.03 Favored Pre-proline 0 N--CA 1.442 -0.851 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.738 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 72.0 Cg_exo -47.67 -48.73 15.03 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.391 2.728 . . . . 0.0 113.728 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -62.07 -42.3 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.081 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.76 84.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 0.0 111.134 -174.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.49 -45.13 48.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.264 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.522 ' HA ' ' HE3' ' A' ' 16' ' ' MET . 0.8 OUTLIER -65.25 -32.33 73.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -177.569 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.2 m -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.407 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 0.0 OUTLIER -69.26 -33.67 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.17 -177.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.4 m -65.61 -45.99 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 0.0 110.758 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -72.44 -33.57 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.65 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.485 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.3 m-20 -64.95 -33.13 75.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.052 0.453 . . . . 0.0 110.424 176.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.2 tp -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.47 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.04 -49.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.876 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 3.2 pt20 -67.98 -31.29 70.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.925 0.393 . . . . 0.0 110.964 -175.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.38 -42.82 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.76 -29.51 51.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.588 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -67.95 -20.36 65.05 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.297 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -123.97 28.73 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 110.612 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -74.39 -38.13 63.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.007 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.61 8.41 67.82 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.7 t -111.59 -49.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.932 0.396 . . . . 0.0 110.448 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.51 145.24 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.2 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -79.35 172.08 14.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.71 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.506 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.8 -50.66 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.241 0.543 . . . . 0.0 109.766 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -60.59 -37.75 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.513 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.2 ptp -74.48 -17.76 60.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.411 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -79.55 -33.6 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.261 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 12.7 m-20 -60.72 -32.1 71.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.161 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.524 ' SD ' HG23 ' A' ' 77' ' ' VAL . 90.1 mmm -56.0 -45.11 79.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.658 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.69 57.18 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.707 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.407 ' HG2' ' HA ' ' A' ' 39' ' ' ASP . 23.6 ptp -67.04 -32.24 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -176.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.561 ' O ' HG21 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -74.84 -33.46 62.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.043 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -59.68 -41.54 90.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.4 ' HA ' HD22 ' A' ' 48' ' ' ASN . 29.0 t70 -60.44 -44.78 95.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 110.336 176.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -59.52 -39.64 84.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.223 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.561 HG21 ' O ' ' A' ' 43' ' ' MET . 96.3 t -60.51 -53.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.757 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.493 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 12.0 p30 -68.96 -28.05 66.29 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.141 -0.623 . . . . 0.0 111.404 -177.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -61.36 -38.33 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 0.0 109.762 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 41.7 mt-30 -82.52 -23.79 34.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.886 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.738 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.0 tmm? -80.94 -30.26 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 111.242 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 49.6 mt-30 -74.84 -20.54 59.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.358 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -88.75 -9.02 53.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.17 174.661 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.448 ' HE3' ' HG3' ' A' ' 66' ' ' MET . 33.2 ttm -72.07 -49.85 33.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.267 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.06 132.3 7.6 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.308 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.09 133.71 59.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.611 2.207 . . . . 0.0 111.671 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 60.13 69.15 1.25 Allowed Pre-proline 0 C--O 1.234 0.259 0 O-C-N 124.009 0.818 . . . . 0.0 109.355 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -84.44 156.45 12.46 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.826 2.35 . . . . 0.0 113.873 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.55 145.79 59.49 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.738 2.292 . . . . 0.0 111.553 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.97 -44.98 10.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.779 0.831 . . . . 0.0 113.089 -171.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -65.32 -19.0 65.76 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -79.14 -26.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.182 -0.324 . . . . 0.0 111.418 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.77 -36.72 73.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.861 0.362 . . . . 0.0 110.764 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -61.59 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.455 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.95 -23.09 63.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.343 -172.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.448 ' HG3' ' HE3' ' A' ' 54' ' ' MET . 63.3 mmm -85.12 -32.34 22.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.792 0.33 . . . . 0.0 111.283 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -35.83 80.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.101 0.477 . . . . 0.0 109.85 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.544 HG22 ' CD2' ' A' ' 119' ' ' LEU . 77.3 m -74.51 -35.5 63.19 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.534 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.59 85.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -65.44 -43.46 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 110.135 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.04 69.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.597 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.47 67.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.582 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.73 -26.7 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.028 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 77' ' ' VAL . 57.5 t -72.86 -27.43 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.238 0.542 . . . . 0.0 110.069 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.99 67.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.394 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.19 -30.53 71.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.932 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -82.24 -22.1 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.5 -178.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.0 -32.01 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.8 -18.67 65.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.317 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -89.11 9.1 26.68 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.213 0.53 . . . . 0.0 111.172 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m -98.09 131.65 26.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.89 134.75 30.67 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.218 1.945 . . . . 0.0 111.449 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -42.69 -42.64 8.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.856 3.038 . . . . 0.0 114.353 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -62.48 -23.43 66.91 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -119.59 3.01 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -59.02 -44.2 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -56.29 -37.43 69.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.384 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.47 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.76 -42.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.621 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.23 -39.66 93.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.054 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -56.91 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.874 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -62.75 -53.33 55.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.772 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 mm -57.13 -48.55 81.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.246 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.43 -41.57 99.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.663 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -65.82 -52.14 53.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.41 -37.28 77.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.87 -41.31 83.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 111.31 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.431 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.9 ttm180 -64.04 -44.94 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.594 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 33.9 mm-40 -65.62 -56.15 13.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.424 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 34.9 p -53.9 -32.58 53.91 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.275 -174.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.28 -51.37 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.348 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.67 -18.25 31.76 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.775 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.466 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -67.11 -26.36 66.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.339 172.712 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.515 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -72.9 -70.53 0.35 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.726 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.515 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.5 t 167.4 -19.68 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 -176.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.72 7.61 81.51 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.055 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.4 m 62.65 173.61 0.14 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.282 0.563 . . . . 0.0 111.066 -175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -99.16 104.89 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 122.101 0.953 . . . . 0.0 109.667 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.07 168.58 15.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.626 -1.624 . . . . 0.0 112.093 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.21 -18.77 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.204 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.33 -52.31 3.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.329 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.27 -53.9 53.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.054 0.454 . . . . 0.0 110.769 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -17.86 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.067 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -89.52 -47.14 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.727 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.16 -53.7 41.04 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.67 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 120' ' ' VAL . 74.9 t -54.96 -46.26 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.447 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -59.13 -44.8 92.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.873 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.9 -48.06 82.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.444 . . . . 0.0 110.458 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.544 ' CD2' HG22 ' A' ' 68' ' ' THR . 8.5 mp -65.37 -42.91 92.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.84 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.0 t -53.51 -43.5 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.968 0.414 . . . . 0.0 110.5 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 117' ' ' MET . 35.4 mtpt -65.36 -50.82 64.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.684 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -76.79 -24.83 52.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.289 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.5 mt -89.44 2.2 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.238 -0.289 . . . . 0.0 111.118 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.0 p -117.78 -67.27 1.0 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.137 -176.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 tt . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.145 0.498 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -78.49 16.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.128 -0.358 . . . . 0.0 111.471 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.54 -22.88 40.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -132.65 114.67 14.39 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.146 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.796 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 87.9 Cg_exo -47.2 -45.15 22.58 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.5 2.8 . . . . 0.0 113.584 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.54 -40.73 96.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.491 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.61 74.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.694 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.36 82.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.544 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.705 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -62.09 -28.51 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -60.62 -50.28 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -29.47 63.49 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.389 -176.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -66.61 -44.35 82.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 110.598 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -69.47 -42.47 74.82 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.33 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.425 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.1 m-20 -61.42 -33.7 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.834 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.75 -47.63 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 0.0 110.209 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.61 -44.96 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.998 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 2.6 pt20 -66.67 -34.84 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 110.382 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.95 -41.25 82.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 109.974 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.84 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.467 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.411 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.9 m -76.24 -30.09 57.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.148 0.499 . . . . 0.0 110.892 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -98.8 15.86 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.002 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -73.31 -50.35 22.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.29 -3.09 79.39 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -99.9 -38.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.405 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.52 163.17 27.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.044 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.498 ' O ' ' HG3' ' A' ' 37' ' ' MET . 80.3 p -93.98 166.62 12.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.655 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.85 73.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.01 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.78 -48.07 70.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -64.2 -37.18 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.671 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.498 ' HG3' ' O ' ' A' ' 33' ' ' THR . 30.2 mtt -69.25 -38.5 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.841 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.741 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.961 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 37' ' ' MET . 74.6 mmm -58.81 -41.55 87.03 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.263 0.554 . . . . 0.0 110.177 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.76 -42.38 95.24 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.875 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.24 -31.85 72.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.984 0.421 . . . . 0.0 110.513 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 47' ' ' VAL . 14.4 tmm? -60.48 -56.59 19.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.973 174.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.63 76.15 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.58 -48.51 63.15 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.84 0.713 . . . . 0.0 111.167 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 34.6 t -72.99 -33.82 66.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 43' ' ' MET . 87.0 t -56.73 -51.13 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.735 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.705 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 7.5 p30 -66.04 -32.19 73.51 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.267 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -60.9 -54.18 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 46' ' ' SER . 13.0 pt20 -73.63 -32.93 64.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.796 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 15.3 tmm? -72.47 -39.97 67.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -72.29 -36.72 69.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.529 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -81.78 11.15 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.736 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 19.1 ttp -76.69 -21.31 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 109.908 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.93 151.24 21.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.476 171.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.61 131.36 22.72 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.786 2.324 . . . . 0.0 111.034 174.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 59.39 75.53 0.5 Allowed Pre-proline 0 N--CA 1.464 0.24 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.87 139.17 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.786 2.324 . . . . 0.0 113.127 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -66.71 137.84 47.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.253 1.969 . . . . 0.0 110.384 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -59.01 -31.42 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -169.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -62.31 -29.81 70.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.148 0.431 . . . . 0.0 111.089 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.736 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 17.0 mmt180 -69.48 -31.74 70.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.197 0.522 . . . . 0.0 110.398 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.9 -1.11 13.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.045 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -96.53 -53.73 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.839 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.31 -28.18 66.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.249 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 94.6 mmm -61.56 -33.06 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.09 -49.27 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 m -61.63 -41.29 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.595 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.58 -52.21 65.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.474 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.471 ' O ' HG22 ' A' ' 74' ' ' VAL . 58.0 ttp -67.4 -44.24 79.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.157 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.25 86.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.645 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.72 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.577 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.33 -38.06 31.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 70' ' ' MET . 48.6 t -66.44 -26.93 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.333 0.587 . . . . 0.0 109.906 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -24.77 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.535 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.15 -48.5 78.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 74' ' ' VAL . 26.6 m -70.27 -26.57 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.388 . . . . 0.0 111.24 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.34 -30.77 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.912 0.387 . . . . 0.0 110.71 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -15.66 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.614 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -85.87 5.17 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.799 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -99.76 130.03 27.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.513 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.58 162.5 41.16 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.425 2.083 . . . . 0.0 111.404 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.6 12.09 0.26 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.163 2.576 . . . . 0.0 113.704 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -105.05 -61.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.061 0.457 . . . . 0.0 110.351 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 p -84.21 0.99 46.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.506 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.63 -42.3 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.577 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 15.1 m -69.51 -6.87 33.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.071 -178.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.89 -33.58 8.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 93' ' ' ILE . 61.5 t -75.56 -55.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.155 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.98 -39.39 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.841 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.577 ' HB2' ' O ' ' A' ' 87' ' ' SER . 7.0 t-20 -52.99 -48.28 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.321 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 m -62.8 -45.26 93.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.83 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -56.51 -50.88 71.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.75 -44.52 97.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.46 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.43 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.18 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.107 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.05 -45.25 95.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 99.2 mtt180 -58.96 -50.5 73.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.85 -55.06 39.21 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.794 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.6 m -49.98 -40.61 44.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.064 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 56.5 mmm -60.12 -51.89 67.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.759 0.314 . . . . 0.0 111.731 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.3 ptm -77.56 -24.63 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.365 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -76.91 -19.29 57.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.581 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.472 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -75.05 -63.81 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 8.9 t 168.97 -24.72 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.726 0.641 . . . . 0.0 111.139 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.56 20.64 13.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.924 -172.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.5 p 51.85 -165.91 0.05 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.247 0.619 . . . . 0.0 111.237 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.27 97.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.07 161.72 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.292 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -91.02 -28.82 17.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.79 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.152 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -58.53 -55.77 30.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 110.581 -177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -18.05 60.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.736 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.25 -48.88 5.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.41 -43.1 91.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 122.867 0.467 . . . . 0.0 111.368 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.463 ' O ' HG21 ' A' ' 120' ' ' VAL . 74.5 t -59.29 -44.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.681 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -45.86 90.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.558 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 118' ' ' GLN . 6.5 tp60 -61.78 -45.42 93.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.88 -48.81 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.424 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 116' ' ' VAL . 69.7 t -56.16 -39.75 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.163 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -75.2 -48.64 22.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.918 0.39 . . . . 0.0 111.211 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -69.31 -34.9 75.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.629 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.38 -4.04 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.947 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.4 t -103.43 -65.34 1.01 Allowed 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 121.203 0.525 . . . . 0.0 109.715 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.588 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.386 -176.267 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.414 ' C ' ' H ' ' A' ' 10' ' ' THR . 18.3 tt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.11 15.58 1.48 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.414 ' H ' ' C ' ' A' ' 8' ' ' ILE . 6.3 m -71.34 -32.48 68.6 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.287 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -139.41 140.64 26.27 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.065 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.644 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.3 Cg_endo -53.58 -46.94 30.06 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.719 2.946 . . . . 0.0 113.798 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -62.93 -37.22 86.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.019 -175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.64 55.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.161 0.505 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -45.44 68.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.949 -176.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.519 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -61.54 -34.44 75.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.3 m -58.92 -54.15 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -28.72 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.145 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.462 ' HB ' ' HE3' ' A' ' 16' ' ' MET . 86.7 m -69.18 -46.75 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.73 -32.38 65.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.651 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.513 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.3 m-20 -66.24 -31.62 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 110.338 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.06 -45.91 89.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.651 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.5 -48.08 90.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.513 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 12.0 pt20 -65.93 -31.56 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.722 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 t -75.53 -46.95 29.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.43 46.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 0.0 112.025 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -71.46 -17.9 62.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.391 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -112.94 23.1 13.76 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.564 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -80.72 -34.17 34.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.681 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.23 75.84 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -97.35 -41.48 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 111.207 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -72.25 164.67 25.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.341 0.591 . . . . 0.0 111.43 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.459 ' O ' ' HG3' ' A' ' 37' ' ' MET . 18.4 p -90.21 168.88 11.59 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.212 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -30.93 69.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.612 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -56.03 6.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.211 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 40' ' ' MET . 93.2 mt-30 -55.65 -43.33 76.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.663 -177.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 33' ' ' THR . 74.8 mtm -62.43 -41.87 99.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.459 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.56 -35.72 39.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.853 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.1 m-20 -67.43 -25.4 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 69.5 mmm -62.47 -33.76 75.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.109 0.48 . . . . 0.0 110.283 172.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.36 84.93 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.132 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.9 ptp -70.6 -21.95 62.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.894 0.378 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.3 tmm? -65.18 -52.23 56.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.83 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.218 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.93 -42.93 90.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.39 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 31.4 t -66.87 -39.99 87.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.752 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 43' ' ' MET . 63.9 t -57.2 -51.5 68.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.685 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.519 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 11.1 p30 -70.51 -26.61 63.66 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.085 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.8 t -60.26 -50.49 73.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 46' ' ' SER . 55.7 mt-30 -71.02 -47.27 59.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.959 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.644 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.3 tmm? -60.6 -42.59 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.496 -176.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.16 -17.18 61.4 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.362 -177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 49' ' ' SER . 65.1 mttm -89.28 -21.09 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.843 0.354 . . . . 0.0 110.155 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 40.1 ttp -65.6 -45.83 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.703 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 114.87 168.3 15.75 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.129 174.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.9 134.73 8.48 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.132 2.555 . . . . 0.0 112.503 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.483 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 47.2 m-80 53.55 63.39 8.12 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.498 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 1.9 Cg_endo -86.44 170.77 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.124 2.549 . . . . 0.0 112.072 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.486 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 Cg_exo -62.83 139.76 76.24 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.569 2.179 . . . . 0.0 112.166 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.16 -37.04 76.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -66.74 -20.33 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.587 0.232 . . . . 0.0 111.183 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -83.81 -38.78 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 109.843 175.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 59' ' ' PRO . 16.1 mt -67.83 -39.18 83.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.702 0.763 . . . . 0.0 109.802 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -78.44 3.91 14.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.243 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.67 -9.39 12.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.544 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mmm -74.16 -23.33 59.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 109.868 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -60.07 -29.21 68.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.404 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 119' ' ' LEU . 25.9 m -75.75 -40.89 54.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.31 76.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.425 ' O ' HG22 ' A' ' 74' ' ' VAL . 27.2 ptm -69.31 -43.0 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.752 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.734 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.47 98.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 111.0 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.94 -35.27 79.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 70' ' ' MET . 63.5 t -74.25 -38.15 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.05 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -53.65 -57.02 12.28 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.308 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -31.19 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.932 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.73 -37.65 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.45 -7.54 38.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.459 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.6 m -94.52 6.98 47.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.514 0.673 . . . . 0.0 110.278 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -96.67 126.47 43.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -57.52 150.41 60.46 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.501 2.134 . . . . 0.0 111.42 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -43.6 -49.56 7.73 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.554 2.836 . . . . 0.0 114.064 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -67.12 -41.85 85.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.39 . . . . 0.0 111.468 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.83 -21.94 46.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -54.92 -45.45 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.355 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -57.54 -40.65 79.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.11 76.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.317 0.579 . . . . 0.0 110.448 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.1 t -69.24 -50.08 55.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.481 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -44.47 96.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.024 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.17 -41.25 87.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.75 0.31 . . . . 0.0 110.648 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -62.05 -49.74 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.653 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 89' ' ' VAL . 50.8 mm -56.75 -49.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -63.32 -42.14 99.29 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.187 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 79.8 m -66.66 -41.45 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.687 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 97' ' ' LEU . 1.6 tm? -56.73 -39.52 74.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -178.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 83.1 mtt-85 -60.64 -58.63 7.64 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 111.164 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -65.07 -38.78 91.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.368 -176.318 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.5 m -57.66 -43.11 84.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 37.2 mmm -60.58 -43.31 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.54 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.469 ' HA ' ' HA ' ' A' ' 107' ' ' SER . 3.0 ppp? -82.94 -24.48 33.0 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.48 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -78.31 -3.58 43.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.12 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.47 -83.64 0.1 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.611 ' O ' HG22 ' A' ' 105' ' ' THR . 6.0 t 166.47 93.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 122.592 1.187 . . . . 0.0 108.831 -173.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 142.77 -11.84 2.4 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 102' ' ' MET . 25.3 p 75.37 165.61 0.27 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.852 -1.174 . . . . 0.0 111.022 174.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -76.69 93.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.936 0.874 . . . . 0.0 111.22 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.18 148.46 44.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.165 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -89.04 -17.66 28.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.879 -173.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.34 -49.86 5.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 0.0 110.932 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.73 -47.82 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.14 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.2 p -59.93 -48.61 81.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -57.0 -45.71 82.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.246 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -62.77 -53.12 59.25 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.715 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.408 ' O ' HG21 ' A' ' 120' ' ' VAL . 4.7 p -65.5 -36.04 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.526 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.463 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 3.1 mmt -60.08 -52.56 64.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.39 174.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -55.03 -47.74 74.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.669 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 68' ' ' THR . 13.1 mt -66.65 -47.23 73.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.232 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 116' ' ' VAL . 55.8 t -56.16 -44.65 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.119 0.485 . . . . 0.0 110.688 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.29 -45.68 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.668 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -85.64 -0.65 55.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 p -113.47 -52.56 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.461 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.732 -176.007 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.9 tp . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.61 18.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 p -89.4 -4.6 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 0.0 110.469 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -143.69 115.19 5.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.898 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.19 -53.4 7.19 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.274 2.65 . . . . 0.0 113.378 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.76 -38.7 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.653 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.677 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.38 86.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.178 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.558 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -63.91 -30.75 71.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.318 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -59.05 -52.46 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.31 69.81 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.26 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -64.03 -45.95 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.445 . . . . 0.0 110.418 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -68.19 -34.99 77.31 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 74.7 m-20 -62.92 -36.03 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.709 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.42 -50.39 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.845 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.541 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 1.5 pp0? -67.16 -37.99 84.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.883 -176.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -66.2 -43.6 86.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.271 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.362 . . . . 0.0 110.943 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -76.15 -27.41 57.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.086 0.469 . . . . 0.0 110.356 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.459 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 4.8 mmp_? -102.41 11.48 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -70.51 -62.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.899 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.71 34.19 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.04 -30.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.651 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 56.1 mt -84.53 178.51 7.69 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.717 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.434 ' O ' ' HG3' ' A' ' 37' ' ' MET . 8.9 t -112.73 163.8 14.14 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 0.0 110.498 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.5 -46.07 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.739 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.011 -177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.4 mtt -68.92 -26.28 65.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.99 -39.78 69.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.143 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 42' ' ' MET . 27.9 m-20 -65.11 -28.57 69.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.04 -30.95 69.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.606 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 -49.36 55.85 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.677 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.5 ptp -67.81 -27.09 66.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.9 0.381 . . . . 0.0 110.547 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 47' ' ' VAL . 14.9 tmm? -64.17 -52.28 59.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.21 78.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.017 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -54.02 -47.8 71.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.92 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -69.62 -32.17 70.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.146 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 43' ' ' MET . 84.5 t -62.91 -49.97 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.798 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.558 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 6.4 p30 -64.57 -38.56 91.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.5 t -57.54 -43.51 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 110.473 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.44 -26.06 60.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.204 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -77.53 -38.35 48.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 65.8 mt-30 -65.63 -36.17 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.726 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.54 19.77 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.142 0.496 . . . . 0.0 110.896 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.484 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 53.5 ttm -78.62 -38.5 39.68 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.49 148.71 17.48 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.036 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.18 130.78 23.48 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.771 2.314 . . . . 0.0 111.5 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 53.01 68.53 2.93 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-O 121.441 0.638 . . . . 0.0 109.282 -172.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 73.9 Cg_endo -71.5 149.87 56.71 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.257 2.638 . . . . 0.0 114.243 -166.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -70.83 152.71 63.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.02 2.48 . . . . 0.0 112.32 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -48.45 -56.49 8.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.685 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -59.81 -23.4 63.29 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 66' ' ' MET . 14.8 mmm180 -71.87 -31.98 67.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.086 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 HD13 ' HG2' ' A' ' 58' ' ' PRO . 7.0 mp -83.73 -38.28 21.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.405 0.622 . . . . 0.0 109.981 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -68.52 -17.5 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.39 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.73 -10.85 28.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 88.9 mmm -80.43 -24.83 39.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 111.265 -174.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -67.55 -24.76 65.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.6 m -89.3 -37.49 14.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.156 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.37 57.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.476 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.67 -43.32 80.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.14 0.495 . . . . 0.0 110.626 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.9 80.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.64 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.23 -24.96 20.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.786 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.424 ' CG1' HG21 ' A' ' 120' ' ' VAL . 2.7 p -76.48 -20.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 124' ' ' SER . . . -64.17 -20.58 66.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.477 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.621 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.16 -30.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.1 t -74.71 -41.35 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.78 -20.28 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.348 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -100.06 9.79 42.3 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.47 0.653 . . . . 0.0 110.514 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.0 m -91.54 134.18 29.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.324 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.69 131.58 46.65 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.601 2.201 . . . . 0.0 111.617 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.03 -36.32 11.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.733 2.955 . . . . 0.0 114.114 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.36 -35.01 79.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.81 0.338 . . . . 0.0 111.522 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.0 m -99.16 -5.7 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.723 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -54.7 -48.31 72.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.477 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -38.55 85.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.6 78.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.187 0.517 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 93' ' ' ILE . 77.0 t -65.26 -46.44 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.681 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.414 HD21 ' HA ' ' A' ' 90' ' ' LEU . 8.9 mt -59.72 -44.28 93.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.52 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -59.5 -41.2 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.035 0.445 . . . . 0.0 110.657 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.9 m -66.18 -51.12 60.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.067 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.0 mm -52.84 -47.38 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.686 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.7 -46.71 93.57 Favored Glycine 0 C--N 1.33 0.226 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.875 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.99 -47.17 86.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.943 0.402 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.5 m -62.63 -44.69 95.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.32 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.423 HD12 HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -62.71 -40.96 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.128 0.489 . . . . 0.0 109.985 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -51.05 71.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.852 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.17 -39.41 49.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.037 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.7 p -55.77 -39.53 71.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.53 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mmm -53.05 -51.78 60.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.8 ptm -79.96 -25.8 40.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.052 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.73 -22.58 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.018 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.549 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -73.69 -67.14 0.62 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.659 175.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.549 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 160.41 -14.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.877 0.736 . . . . 0.0 110.793 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.38 12.75 63.9 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.911 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 m 63.12 176.42 0.15 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.123 0.487 . . . . 0.0 111.473 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.65 108.45 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.176 0.988 . . . . 0.0 110.67 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -75.89 174.13 10.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.097 -1.411 . . . . 0.0 110.545 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -124.36 6.94 8.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.694 0.283 . . . . 0.0 110.946 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.68 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -109.12 -58.64 2.0 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.032 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -58.31 -49.04 78.59 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.262 0.553 . . . . 0.0 110.394 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.423 HG23 HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -60.13 -29.15 68.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.612 178.166 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.423 ' HB3' ' O ' ' A' ' 111' ' ' ALA . 5.9 t30 -77.1 -44.6 29.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.577 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.68 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 35.5 mm-40 -51.91 -53.08 44.99 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.92 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 120' ' ' VAL . 80.4 t -56.94 -48.94 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.664 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 53.4 mmm -76.36 13.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -119.91 -43.3 2.56 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 167.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.9 mt -64.27 -41.7 96.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 116' ' ' VAL . 87.1 t -57.92 -35.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.713 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -72.86 -47.44 46.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.507 0.67 . . . . 0.0 110.745 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.8 ttp -71.92 -31.83 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.242 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -90.97 10.52 26.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.629 0.252 . . . . 0.0 111.443 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 24.9 p -121.42 -67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.358 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.647 177.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -82.7 57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.354 0.597 . . . . 0.0 109.844 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 -45.9 4.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.799 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -138.69 137.61 20.32 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.443 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.61 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 80.6 Cg_exo -42.07 -54.43 2.98 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 124.155 3.237 . . . . 0.0 114.109 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.29 -45.44 65.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.664 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.86 41.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.467 -172.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.4 87.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.938 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.647 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -65.06 -29.27 70.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.256 -178.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -58.81 -53.29 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.3 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -34.84 76.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.25 -176.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.407 ' HB ' ' HE3' ' A' ' 16' ' ' MET . 57.4 m -63.33 -47.56 81.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.157 0.503 . . . . 0.0 110.835 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -69.35 -32.05 70.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.261 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 87.5 m-20 -66.89 -26.92 67.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 110.779 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.01 -41.32 86.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.97 -48.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.987 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.0 pp0? -64.76 -26.47 68.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.8 t -81.8 -47.22 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.817 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 1.09 38.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -100.48 -19.55 16.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.161 0.982 . . . . 0.0 108.947 176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.77 -14.58 15.49 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.943 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.0 p -61.55 -41.29 97.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.147 177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.06 6.91 81.34 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.964 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 HD11 ' A' ' 32' ' ' LEU . 2.8 p -96.89 -19.17 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.974 0.416 . . . . 0.0 110.531 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 31' ' ' VAL . 10.7 mp -86.81 165.85 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.757 175.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -88.82 168.7 12.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.662 0.268 . . . . 0.0 110.515 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.09 70.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 0.0 109.924 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.35 -55.21 9.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.723 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 40' ' ' MET . 73.8 mt-30 -56.33 -43.54 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.219 -174.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.6 ptp -68.44 -22.85 64.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.33 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -80.96 -39.86 25.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -34.26 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.394 176.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 93.2 mmm -58.5 -34.02 70.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.94 -52.21 39.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.214 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -67.38 -27.22 66.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.59 ' SD ' HG13 ' A' ' 74' ' ' VAL . 34.1 ttp -63.17 -47.79 81.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.386 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.28 88.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.838 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.31 -47.1 82.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.564 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t -56.88 -38.69 73.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -67.21 -52.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.528 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.647 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 10.7 p30 -69.08 -32.92 72.71 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.71 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.58 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 24.3 t -62.39 -48.36 80.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.092 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.57 -31.42 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.797 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.9 tmm? -74.49 -28.93 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 78.0 mt-30 -68.52 -40.28 80.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 110.264 175.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HD3' ' O ' ' A' ' 49' ' ' SER . 13.3 mptt -76.01 -8.95 58.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.739 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.53 ' HB3' ' O ' ' A' ' 51' ' ' MET . 31.4 ttm -73.35 -52.59 13.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.656 173.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.38 145.41 18.14 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.504 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.4 127.15 18.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.66 2.24 . . . . 0.0 111.371 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 60.75 70.56 0.94 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.28 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 61.0 Cg_endo -95.68 174.29 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.605 2.87 . . . . 0.0 113.083 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.84 142.17 68.31 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.233 1.955 . . . . 0.0 111.578 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -52.75 -36.09 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.631 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -66.3 -24.24 66.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.528 ' O ' ' HG2' ' A' ' 66' ' ' MET . 8.2 mmt180 -70.64 -33.11 70.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.995 0.426 . . . . 0.0 110.211 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.408 ' CD1' ' HG2' ' A' ' 58' ' ' PRO . 6.0 mp -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.235 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.9 ttt85 -79.61 -11.61 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.109 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.36 -10.11 45.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.965 0.412 . . . . 0.0 111.333 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.0 mmm -89.45 -30.87 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.4 -44.34 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.854 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 m -63.03 -47.54 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.838 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -63.29 -47.95 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.759 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -68.62 -41.85 78.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.0 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.137 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.55 49.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.1 mm-40 -76.41 -45.55 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.499 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.59 HG13 ' SD ' ' A' ' 43' ' ' MET . 32.9 m -67.75 -24.64 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.326 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.47 -28.49 69.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.721 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -45.2 91.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.674 -176.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 74' ' ' VAL . 34.2 m -72.87 -34.44 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.798 0.332 . . . . 0.0 111.037 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.68 -39.11 75.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.589 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.34 -6.33 34.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.418 . . . . 0.0 111.46 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -91.57 -7.08 51.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.366 0.603 . . . . 0.0 110.133 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.2 m -94.91 130.8 31.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.644 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.5 157.5 46.01 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.76 2.306 . . . . 0.0 111.468 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -44.15 -49.01 9.02 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.362 2.708 . . . . 0.0 114.387 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.07 -36.56 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 m -90.38 -14.17 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.176 0.512 . . . . 0.0 110.467 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.4 -56.56 20.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.582 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -65.91 -27.58 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.324 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.93 82.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.237 0.541 . . . . 0.0 109.834 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 93' ' ' ILE . 92.0 t -72.06 -40.7 67.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.982 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.7 -52.55 63.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.653 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -57.17 -40.64 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.588 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.3 m -62.25 -41.92 98.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.788 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 49.2 mm -58.35 -49.68 81.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.26 -36.13 84.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.635 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.87 -45.92 73.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.701 0.286 . . . . 0.0 110.885 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.87 7.0 22.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.309 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -111.0 -21.42 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 176.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' HG21 ' A' ' 108' ' ' VAL . 38.2 ptt180 -79.86 -48.69 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.479 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -38.75 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.383 . . . . 0.0 111.431 -176.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.6 p -56.93 -32.63 66.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.49 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 107' ' ' SER . 58.1 mmm -62.39 -46.79 87.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.529 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.6 ptp -76.37 -30.94 57.77 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.22 -13.5 62.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 175.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.96 -64.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.036 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.4 t -179.88 -49.9 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 34.16 2.85 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.028 -0.606 . . . . 0.0 114.408 -167.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 101' ' ' MET . 21.9 m 54.6 -164.41 0.11 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 111.321 178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 98' ' ' ARG . 32.7 t -94.91 89.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.41 133.47 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.118 -174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -74.1 -21.36 59.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.996 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.06 -47.06 5.65 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.312 -0.155 . . . . 0.0 110.805 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.2 -61.62 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.312 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.0 p -58.61 -37.96 76.98 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.095 0.474 . . . . 0.0 110.853 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.52 -50.53 64.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.577 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.28 -43.51 81.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.768 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.57 ' O ' HG21 ' A' ' 120' ' ' VAL . 79.6 t -59.12 -48.38 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.274 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 3.8 mmt -53.96 -49.5 68.61 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -57.1 -50.04 74.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.659 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.26 -48.82 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.92 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 116' ' ' VAL . 95.3 t -55.72 -55.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.7 0.286 . . . . 0.0 110.669 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.45 -37.75 73.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.207 0.527 . . . . 0.0 111.364 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 44.6 ttp -76.37 -46.49 27.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.936 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.34 -8.05 55.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.365 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.6 m -102.39 -5.59 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.096 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.573 0.702 . . . . 0.0 110.167 177.575 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.413 ' O ' HG13 ' A' ' 8' ' ' ILE . 5.9 tp . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 120.954 0.406 . . . . 0.0 111.921 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -78.15 4.88 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -84.09 -2.79 57.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.72 0.295 . . . . 0.0 111.722 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -149.42 113.65 3.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.247 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.546 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 77.7 Cg_exo -51.08 -43.64 47.0 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.31 2.673 . . . . 0.0 112.988 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.58 -40.6 97.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.604 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.36 -44.97 64.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.847 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.9 79.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.476 ' HA ' ' HE3' ' A' ' 16' ' ' MET . 0.4 OUTLIER -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.269 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.2 m -59.57 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.265 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -30.22 67.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.329 -177.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -65.24 -45.69 83.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.573 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.76 -37.47 82.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 95.2 m-20 -66.0 -33.1 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.089 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.88 -44.39 96.22 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -51.77 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.792 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.6 pp0? -63.93 -32.06 73.46 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.869 0.366 . . . . 0.0 110.687 -175.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.39 -51.07 56.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.71 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 68.6 m -67.95 -15.21 63.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.503 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -114.21 8.6 16.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -71.71 -46.84 57.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.139 0.495 . . . . 0.0 110.917 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.76 4.08 73.2 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.86 -42.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.307 0.575 . . . . 0.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD23 ' HG2' ' A' ' 36' ' ' GLN . 7.2 mp -86.17 157.79 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.997 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -80.81 164.63 22.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.715 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.1 68.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.677 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -79.57 -44.9 20.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.802 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HG2' HD23 ' A' ' 32' ' ' LEU . 62.0 tt0 -64.61 -40.88 96.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.021 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.71 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 57.0 mtm -70.59 -39.84 73.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.854 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -71.64 -32.13 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.82 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.6 t70 -61.37 -32.52 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mtp -64.95 -29.28 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.52 -41.93 93.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.079 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.483 ' HA ' ' OD2' ' A' ' 45' ' ' ASP . 20.7 ptp -80.7 -17.58 50.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.181 0.515 . . . . 0.0 110.148 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -66.52 -34.96 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.289 172.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.37 75.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.444 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.483 ' OD2' ' HA ' ' A' ' 42' ' ' MET . 20.5 m-20 -63.47 -22.22 66.76 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.994 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.654 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.3 t -79.34 -46.68 17.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.69 -52.43 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.482 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.4 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 17.6 p30 -69.01 -30.19 68.53 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -63.64 -46.46 85.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.957 0.408 . . . . 0.0 110.037 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.654 ' HG3' ' O ' ' A' ' 46' ' ' SER . 58.5 mt-30 -71.14 -36.84 72.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.467 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.546 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 56.2 ttp -62.18 -39.2 91.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.114 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.4 -28.36 56.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.647 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 59.6 pttt -81.92 -12.75 58.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.304 0.573 . . . . 0.0 109.772 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.681 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 60.8 ttp -79.03 -33.74 44.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.445 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 107.96 146.35 12.38 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.926 175.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.34 19.61 0.92 Allowed 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.875 2.383 . . . . 0.0 111.927 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 55' ' ' GLY . 2.7 t-20 -166.5 61.36 0.65 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 97.7 Cg_endo -91.25 162.08 3.74 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.206 2.604 . . . . 0.0 114.434 -166.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 2.9 Cg_exo -75.19 153.04 40.59 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.115 2.543 . . . . 0.0 111.791 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . 6.3 tp60 -59.04 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -65.53 -23.17 66.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.635 0.255 . . . . 0.0 111.319 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.681 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 29.4 mmt180 -70.92 -44.23 66.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.95 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.97 -36.78 84.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.185 -175.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.34 -18.38 64.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.59 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.74 -16.01 16.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.7 mmm -72.39 -27.49 62.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.351 0.596 . . . . 0.0 110.206 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -59.85 -51.36 70.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.407 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.7 m -63.64 -39.8 95.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.758 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.83 -46.63 87.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.9 ttm -64.14 -48.17 77.07 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.226 0.536 . . . . 0.0 109.857 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.85 73.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.014 -176.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.22 75.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.238 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 7.7 mm-40 -73.65 -42.28 61.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.512 . . . . 0.0 109.934 178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.21 -28.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.56 -31.32 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.171 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -60.67 -53.96 51.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.275 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 80' ' ' THR . 34.5 m -67.7 -29.91 46.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.977 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.7 t -72.41 -43.47 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.803 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -21.99 66.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 77' ' ' VAL . 0.7 OUTLIER -79.36 -5.91 55.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 111.122 -177.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.1 m -90.93 128.94 45.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.896 -176.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.61 150.35 88.35 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.549 2.166 . . . . 0.0 111.285 173.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.03 -29.05 53.01 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.133 2.556 . . . . 0.0 112.711 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.04 -28.63 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.817 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 m -122.01 -1.56 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.924 0.392 . . . . 0.0 110.814 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -62.07 -46.01 91.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.356 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -29.71 69.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.525 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.55 -36.46 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.1 t -68.85 -35.67 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.895 177.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -58.2 7.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.55 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -66.74 -36.33 82.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.14 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.7 m -60.54 -51.16 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.0 mm -57.25 -49.54 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -44.88 96.97 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.012 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.76 -51.56 54.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.685 0.279 . . . . 0.0 111.066 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.07 -38.18 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.866 -176.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tt -73.04 -39.38 66.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 110.402 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.421 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.1 ttm180 -64.57 -35.56 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 111.133 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 25.7 mm-40 -74.91 -58.09 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.056 0.455 . . . . 0.0 110.314 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.438 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 30.8 p -54.84 -35.15 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.472 -173.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 107' ' ' SER . 25.1 ttt -56.46 -47.62 78.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.144 0.278 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.42 -13.82 45.16 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.629 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.438 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.3 OUTLIER -67.33 -26.49 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.707 173.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.547 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -70.53 -70.23 0.31 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.547 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.3 t 164.11 -19.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.538 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.26 16.11 50.31 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.443 -176.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.574 ' O ' ' HG2' ' A' ' 101' ' ' MET . 55.8 m 62.28 179.89 0.13 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.013 0.435 . . . . 0.0 110.969 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.467 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 2.8 p -116.67 102.32 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.687 0.756 . . . . 0.0 109.716 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.92 145.05 47.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.221 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -75.62 -23.82 56.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.688 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.31 8.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.305 -0.158 . . . . 0.0 110.794 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.1 -57.13 12.23 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.576 0.547 . . . . 0.0 111.091 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.6 p -58.49 -41.81 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.222 0.534 . . . . 0.0 110.856 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -65.0 -47.03 78.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.99 -50.51 71.79 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 122.795 0.438 . . . . 0.0 110.84 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.534 ' O ' HG21 ' A' ' 120' ' ' VAL . 95.3 t -59.77 -43.6 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.83 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -50.51 69.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.412 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -67.77 -42.05 82.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.51 -50.35 74.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.712 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 116' ' ' VAL . 93.1 t -56.42 -42.27 74.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.756 0.313 . . . . 0.0 110.861 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.472 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . 0.2 OUTLIER -67.73 -50.65 56.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.569 178.7 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.4 tmm? -63.48 -24.69 67.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.768 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.2 mt -93.18 5.38 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -131.79 -59.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.972 0.415 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.738 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.57 HD11 ' SD ' ' A' ' 18' ' ' MET . 12.3 tt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.48 ' HB2' HD21 ' A' ' 63' ' ' LEU . 92.4 m95 -71.59 -4.23 25.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -84.22 -6.89 59.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.758 0.314 . . . . 0.0 110.92 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -130.42 99.8 18.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 109.987 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.457 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 67.2 Cg_exo -51.66 -43.46 50.68 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.468 2.779 . . . . 0.0 113.716 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.08 -44.6 87.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.858 0.361 . . . . 0.0 110.449 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.29 70.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.823 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -62.66 -43.04 99.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.041 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.648 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.3 mmt -68.62 -29.27 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.324 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -58.73 -43.9 90.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.57 ' SD ' HD11 ' A' ' 8' ' ' ILE . 25.8 mtm -60.57 -56.0 26.59 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.511 0.672 . . . . 0.0 110.04 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -60.2 -42.32 94.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.984 -171.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.75 -41.87 91.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 110.487 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.409 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 78.9 m-20 -66.9 -35.8 80.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.21 -49.66 76.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.912 0.387 . . . . 0.0 110.321 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.38 -46.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.832 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -69.5 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.61 -175.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.43 -49.67 68.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.78 -26.12 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.0 t -75.4 -17.83 60.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.59 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -116.56 18.51 15.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.388 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.0 p -77.13 -44.59 29.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.367 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 -1.16 76.37 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -173.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -101.58 -36.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.861 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -85.66 179.36 7.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' A' ' 37' ' ' MET . 10.0 t -119.13 166.52 12.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.888 0.375 . . . . 0.0 110.669 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.59 -43.23 99.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.431 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.36 -29.07 65.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.233 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.1 mtt -68.19 -37.08 80.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.57 -38.83 77.55 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.65 -35.74 81.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.192 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.66 -37.12 86.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.8 83.42 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.593 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.64 -24.44 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -63.29 -40.99 98.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.72 91.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.024 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.95 -39.9 91.29 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -59.79 -40.37 88.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.038 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.47 -56.74 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.783 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.648 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 22.6 p30 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 t -65.48 -53.08 47.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -64.08 -36.4 83.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.887 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.565 ' SD ' ' HB3' ' A' ' 15' ' ' ALA . 46.0 ttp -64.56 -41.08 96.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.24 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -67.55 -20.33 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -99.29 3.83 46.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.256 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.1 ttp -77.47 -43.87 30.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.931 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.98 127.58 5.15 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.583 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.89 142.91 99.0 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.468 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 41.3 m-80 59.07 54.63 5.01 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 40.5 Cg_endo -95.84 174.36 0.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.997 2.464 . . . . 0.0 112.937 -173.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.86 155.61 53.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.443 2.095 . . . . 0.0 110.594 171.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -69.37 -14.33 62.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -172.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -68.9 -21.65 64.22 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.337 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -74.68 -50.73 16.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 110.056 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 9' ' ' TRP . 15.8 mt -63.68 -45.42 90.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.738 -176.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -60.24 -23.75 64.31 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.997 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.18 -0.82 57.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.455 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 97.2 mmm -103.07 -34.16 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.539 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -44.49 95.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.603 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.535 HG21 ' CD2' ' A' ' 119' ' ' LEU . 41.6 m -69.13 -29.21 67.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.45 . . . . 0.0 110.722 176.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.19 -50.69 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.203 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.492 ' O ' HG23 ' A' ' 74' ' ' VAL . 34.3 ttm -57.99 -47.36 83.24 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.033 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.67 -40.75 72.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.572 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.83 67.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 42.8 mm-40 -63.75 -44.38 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 70' ' ' MET . 28.7 m -76.96 -22.38 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.5 71.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.14 -41.47 92.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.51 -42.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.144 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.78 -36.77 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.888 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.51 -27.2 68.42 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.4 m -71.66 -19.25 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 111.351 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -71.57 130.33 87.48 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.513 -174.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.53 143.03 98.57 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.523 2.149 . . . . 0.0 111.094 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -31.97 76.26 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.908 2.405 . . . . 0.0 112.903 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -85.21 2.15 45.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.582 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.2 t -125.2 -10.07 7.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 109.938 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -54.78 -46.25 74.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.527 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 m -57.02 -39.15 74.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.281 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.89 64.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.043 0.449 . . . . 0.0 110.459 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.57 -48.0 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.708 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -43.52 91.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.552 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -64.38 -32.83 74.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -66.11 -41.94 89.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.865 0.364 . . . . 0.0 110.2 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.8 -52.09 64.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.669 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.4 99.48 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.732 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.37 -52.73 63.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.649 0.261 . . . . 0.0 111.284 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 97.2 m -64.27 -42.94 96.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.89 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.657 0.265 . . . . 0.0 110.435 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -56.35 -53.88 52.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.816 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 9.8 pt-20 -69.75 -42.8 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.181 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.6 m -58.37 -38.96 78.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.408 ' HA ' ' HG2' ' A' ' 18' ' ' MET . 21.7 ttt -64.62 -52.56 56.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 111.263 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 102' ' ' MET . 19.0 ptm -74.68 -24.42 58.78 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.136 -176.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -61.05 -28.28 68.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.891 177.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -71.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.7 t 174.91 -31.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.953 0.406 . . . . 0.0 110.957 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.64 11.09 65.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.465 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 m 63.23 -175.43 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.026 0.441 . . . . 0.0 111.196 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.0 p -106.74 107.65 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 121.736 0.779 . . . . 0.0 110.006 -176.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -71.77 150.23 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.709 -175.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -81.17 -26.48 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.231 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -92.32 -43.26 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.701 0.286 . . . . 0.0 110.554 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 116' ' ' VAL . 34.3 t80 -53.92 -58.51 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.664 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 38.3 p -61.58 -40.97 96.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -65.72 -40.78 92.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.615 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.85 -50.16 69.94 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.0 t -54.09 -52.69 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.142 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 49.2 mmm -73.11 7.1 2.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -107.81 -54.19 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.535 ' CD2' HG21 ' A' ' 68' ' ' THR . 9.8 mp -70.45 -36.07 73.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.126 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.14 -36.82 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.194 0.521 . . . . 0.0 110.461 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -78.8 -49.31 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.397 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 59.8 ttp -66.56 -34.16 77.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.324 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.3 mt -83.44 4.72 26.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.122 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.3 p -130.37 -68.2 0.7 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.914 0.388 . . . . 0.0 110.169 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.865 -179.609 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.2 tt . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.394 0.616 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -89.05 9.14 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.701 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -36.68 83.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.836 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.67 134.42 23.51 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.302 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.1 -38.99 93.2 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.423 2.748 . . . . 0.0 113.133 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.87 -43.49 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.256 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.25 59.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -57.27 -55.91 28.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.257 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -29.41 70.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.12 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.49 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 0.0 OUTLIER -70.6 -28.85 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.473 -175.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -71.41 -42.77 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.644 0.259 . . . . 0.0 110.727 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.16 -44.79 75.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.676 0.274 . . . . 0.0 110.89 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.71 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.25 -48.69 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.77 -47.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.035 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.51 -31.26 72.4 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.48 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -66.93 -47.73 70.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.213 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.58 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.499 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.2 t -66.86 -21.58 66.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -112.06 11.81 20.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -75.51 -45.79 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.23 4.47 86.39 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.52 -41.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.096 0.474 . . . . 0.0 110.551 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mp -83.02 157.94 22.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.415 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 p -77.02 168.3 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.92 -24.52 67.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 110.236 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.15 -50.28 10.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.611 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -52.41 -44.31 65.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.818 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.499 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.9 mtm -66.19 -35.31 80.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.195 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.49 -34.74 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.481 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.19 -39.53 82.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 0.0 110.091 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mtp -70.09 -33.98 72.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.52 -48.86 84.1 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.258 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -72.03 -23.37 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 110.535 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.09 -42.76 96.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.772 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.59 82.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -63.21 -41.7 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.041 0.448 . . . . 0.0 110.273 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.5 t -62.08 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.549 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.43 -38.94 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.671 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -49.94 -54.29 20.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.134 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -63.11 -41.19 99.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.687 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 49.9 mt-30 -72.97 -32.72 65.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.704 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -72.08 -41.77 66.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.874 0.369 . . . . 0.0 110.455 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.77 -31.7 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.518 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 62.7 pttt -72.02 -15.84 62.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.001 0.429 . . . . 0.0 110.395 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.516 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 35.9 ttp -82.25 -44.02 16.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.178 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 -177.03 53.5 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.512 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 152.55 51.61 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.351 2.701 . . . . 0.0 112.426 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.405 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 94.1 m-20 51.7 64.83 7.22 Favored Pre-proline 0 N--CA 1.466 0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.3 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB3' ' CG ' ' A' ' 54' ' ' MET . 4.5 Cg_exo -77.74 128.57 9.44 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.799 2.333 . . . . 0.0 112.614 -176.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.15 163.25 29.64 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.535 2.157 . . . . 0.0 111.447 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -55.65 -40.84 72.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -68.38 -11.8 60.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.516 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 23.0 mmt180 -83.12 -46.35 12.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.284 -0.26 . . . . 0.0 110.61 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.64 -33.99 77.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.192 0.52 . . . . 0.0 109.9 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -66.13 -23.78 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.886 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.27 -34.24 20.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.845 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.29 -38.7 81.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.19 -40.17 92.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.479 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 m -76.89 -32.75 57.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.49 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.3 -46.03 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.5 ttm -69.41 -50.56 44.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.359 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.67 -43.17 80.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.649 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.18 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 58.6 mm-40 -76.38 -43.39 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.56 ' O ' HG22 ' A' ' 77' ' ' VAL . 22.7 m -75.16 -17.62 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.759 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.88 55.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.273 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.8 -49.98 75.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 74' ' ' VAL . 11.2 m -69.16 -27.74 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 110.728 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.443 HG22 ' CG1' ' A' ' 120' ' ' VAL . 61.1 t -73.59 -38.62 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.197 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.78 -28.45 69.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.675 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 m -72.67 -10.74 60.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.068 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.4 m -93.6 114.89 64.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 84' ' ' GLN . 72.1 Cg_endo -77.07 167.47 24.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.624 2.216 . . . . 0.0 112.129 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -68.3 29.86 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.278 2.652 . . . . 0.0 113.572 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.485 ' H ' ' C ' ' A' ' 82' ' ' PRO . 75.9 mt-30 -127.55 -2.9 6.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.12 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -152.94 14.95 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 111.059 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.41 -50.75 43.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.485 -176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.664 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 38.8 m -76.57 8.3 3.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.25 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.98 -41.14 6.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 93' ' ' ILE . 94.5 t -76.97 -50.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.17 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -38.97 76.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.239 0.542 . . . . 0.0 109.778 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.664 ' HB2' ' O ' ' A' ' 87' ' ' SER . 8.9 t-20 -56.37 -49.01 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.23 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 m -64.33 -42.81 96.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.073 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -58.2 -56.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.9 -35.77 92.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.717 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.57 -54.97 9.99 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 111.149 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.53 -29.9 70.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.995 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -66.76 -54.45 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.954 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 3.2 ptp180 -61.47 -41.23 96.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.486 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -58.99 -56.07 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 111.075 177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 23.4 m -56.87 -35.45 68.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.711 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.7 mmm -54.47 -54.3 42.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.54 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.1 ptm -78.28 -18.26 55.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.399 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -77.97 -18.7 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.555 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.02 -62.47 1.66 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.2 t 165.65 -20.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.67 0.606 . . . . 0.0 111.25 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.76 15.93 34.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.76 -173.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.2 p 52.25 -172.16 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.447 0.699 . . . . 0.0 111.768 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.37 91.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.954 0.407 . . . . 0.0 110.004 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.59 111.02 9.37 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.419 HD21 ' N ' ' A' ' 110' ' ' ASN . 0.9 OUTLIER -65.29 -38.1 89.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.253 -174.625 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.67 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.311 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 116' ' ' VAL . 88.6 t80 -60.54 -55.24 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 p -58.43 -42.87 88.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.525 0.203 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.65 -43.17 99.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.361 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.71 -42.17 86.8 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-O 120.699 0.285 . . . . 0.0 110.58 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 120' ' ' VAL . 98.6 t -58.83 -51.75 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.057 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.478 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 6.7 mmt -53.67 -47.11 70.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.796 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -54.29 -57.34 11.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.34 -49.88 72.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.051 -176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 116' ' ' VAL . 79.5 t -53.53 -48.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.688 0.28 . . . . 0.0 111.421 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -68.7 -43.77 75.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.82 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 47.7 ttp -66.68 -30.52 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.994 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.19 5.24 42.45 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 p -135.34 -69.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.717 -177.857 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 tt . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -70.94 -5.37 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.289 0.495 . . . . 0.0 111.034 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -18.6 64.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 175.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -130.53 103.79 16.21 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.875 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.9 -35.71 71.83 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.842 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.84 -43.87 97.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.383 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.21 -43.28 74.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.142 0.496 . . . . 0.0 110.733 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -63.52 -41.45 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.001 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.521 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -69.4 -37.37 77.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.173 177.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.9 m -59.29 -48.47 81.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.386 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -64.28 -36.59 84.58 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.416 ' HB ' ' HE2' ' A' ' 16' ' ' MET . 57.4 m -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.091 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -79.74 -34.28 40.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.787 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.484 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 81.4 m-20 -68.37 -23.91 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.9 -37.71 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.73 -46.18 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.77 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.484 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -68.49 -35.36 77.42 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.881 -175.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.81 -45.89 70.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.352 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.44 -24.19 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.1 t -70.18 -19.68 63.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -113.42 21.95 14.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.265 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.2 p -82.69 -43.6 16.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.261 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.63 12.57 71.98 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.95 -43.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.569 -0.315 . . . . 0.0 111.241 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.77 173.67 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.276 0.56 . . . . 0.0 111.675 -174.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -96.65 169.49 9.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.349 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 -28.72 68.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.503 . . . . 0.0 109.764 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.15 -52.39 23.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.945 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 40' ' ' MET . 77.2 mt-30 -57.45 -49.08 77.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.894 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.0 mtm -61.48 -37.26 82.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.64 -38.31 29.41 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.753 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.33 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.379 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.2 mtp -60.31 -36.24 77.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.145 0.497 . . . . 0.0 110.624 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.17 -24.08 76.83 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.721 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.7 mtm -85.07 -31.81 23.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.397 0.142 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 1.5 ptt? -70.22 -33.5 71.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -61.3 -28.84 69.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.224 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.21 -46.46 88.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.1 m -64.77 -28.07 69.32 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.937 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.39 -54.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.49 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 12.4 p30 -70.93 -28.25 64.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.178 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -59.82 -42.77 94.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.056 0.455 . . . . 0.0 109.932 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.94 -30.66 56.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.706 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' A' ' 54' ' ' MET . 52.2 ttp -70.16 -34.45 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 49.1 mt-30 -66.61 -27.65 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 110.307 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -89.18 10.79 20.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.624 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.698 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 39.4 ttm -89.49 -44.94 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.914 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.39 166.92 20.29 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.171 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.6 20.05 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.174 2.583 . . . . 0.0 112.55 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -167.51 84.69 0.8 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.698 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 37.7 Cg_endo -66.66 123.73 11.45 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 123.15 2.567 . . . . 0.0 114.347 -170.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.37 157.33 33.02 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.908 2.405 . . . . 0.0 110.515 167.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -59.11 -32.5 69.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -70.25 -12.78 61.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.255 -178.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.12 -43.18 12.46 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.52 -43.92 97.99 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -30.51 71.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.885 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.8 -43.87 12.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.447 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 95.8 mmm -63.98 -36.46 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -172.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -64.61 -34.93 79.42 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.492 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -84.07 -39.08 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.952 0.405 . . . . 0.0 110.353 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.38 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -72.33 -43.32 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.98 -32.64 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.45 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.61 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.523 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -76.06 -30.95 58.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.5 m -74.4 -23.39 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.41 -18.69 59.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.017 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -61.2 -49.29 77.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.14 -24.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.714 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.509 HG12 ' CE2' ' A' ' 86' ' ' TYR . 23.3 t -78.57 -30.6 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.171 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.78 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -80.34 -0.7 37.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.346 0.594 . . . . 0.0 110.369 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -101.58 123.27 44.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.22 147.78 74.23 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.669 2.246 . . . . 0.0 111.838 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.03 -39.19 25.19 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.574 2.849 . . . . 0.0 114.117 -175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.51 -24.65 60.18 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m -102.63 -8.79 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.382 0.611 . . . . 0.0 109.988 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.509 ' CE2' HG12 ' A' ' 78' ' ' VAL . 41.4 t80 -60.1 -43.79 95.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.389 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 m -56.09 -35.95 67.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.807 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.07 -36.49 64.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.168 0.509 . . . . 0.0 110.212 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.24 -45.31 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.589 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.54 -50.12 74.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.734 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -60.49 -37.13 80.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -61.16 -49.98 75.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.48 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mm -59.07 -48.34 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.589 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.41 -47.76 89.53 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 113.005 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.29 69.68 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.944 0.402 . . . . 0.0 111.003 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.11 -38.06 89.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.641 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.98 -43.99 94.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.514 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -57.04 -56.27 23.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -63.77 -40.78 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.544 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.7 m -58.16 -31.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.98 -40.47 83.12 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.823 0.344 . . . . 0.0 110.794 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 14.7 ptm -83.08 -19.32 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.507 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -71.98 -21.25 61.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.087 0.47 . . . . 0.0 109.857 172.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.463 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -82.04 -69.18 0.64 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.327 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.1 t 173.37 -24.15 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.376 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.06 7.26 71.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.906 -172.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.6 t 63.22 -165.71 0.24 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.913 0.356 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.4 t -106.76 102.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.06 160.03 32.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.232 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -117.76 2.05 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -173.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.48 -49.89 2.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.672 0.273 . . . . 0.0 110.477 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.423 ' O ' HG22 ' A' ' 116' ' ' VAL . 66.3 t80 -60.57 -61.6 2.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.677 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -30.68 68.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.29 0.567 . . . . 0.0 110.913 -177.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 117' ' ' MET . 35.3 t30 -74.04 -46.22 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.24 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.52 -31.29 65.2 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 122.274 -0.266 . . . . 0.0 110.59 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.532 ' O ' HG23 ' A' ' 120' ' ' VAL . 53.7 t -59.49 -43.95 91.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 170.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.505 ' HB2' ' O ' ' A' ' 114' ' ' ASN . 2.9 mmt -54.11 -51.12 65.22 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 174.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.88 -42.06 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.698 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.99 -48.76 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.516 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 116' ' ' VAL . 95.4 t -56.49 -42.87 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.719 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 49.1 mttt -60.97 -46.43 90.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.194 178.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -82.19 -26.49 33.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.429 -173.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -93.03 15.26 15.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.726 0.298 . . . . 0.0 111.474 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 p -123.66 -64.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.373 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.39 -177.75 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 8' ' ' ILE . 5.1 tp . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -79.85 29.47 0.26 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 111.244 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.85 -42.29 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.09 0.471 . . . . 0.0 111.348 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -116.49 121.06 33.78 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.237 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.735 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.9 Cg_endo -53.87 -39.2 85.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.935 2.423 . . . . 0.0 112.524 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -65.8 -41.76 91.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.602 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.94 66.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.009 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.24 91.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.663 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.5 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -61.99 -39.22 91.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.62 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.0 m -57.92 -51.04 71.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.336 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -27.69 66.52 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.235 -177.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.469 ' HB ' ' HE3' ' A' ' 16' ' ' MET . 99.5 m -71.11 -48.21 53.56 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.962 176.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.84 -35.51 80.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.628 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.456 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m-80 -65.4 -27.12 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.013 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.32 -42.35 98.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.6 t -68.11 -47.28 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.456 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 5.3 pp0? -65.76 -35.03 79.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.733 0.301 . . . . 0.0 110.813 -176.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -69.57 -43.39 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.24 -27.87 64.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.609 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.676 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.7 t -68.99 -20.62 64.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -105.62 10.13 33.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.206 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -72.02 -47.05 54.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.066 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.31 11.52 82.04 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.4 t -111.28 -36.08 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.5 mt -79.82 173.53 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.335 0.588 . . . . 0.0 110.912 -176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.4 p -98.06 168.68 10.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.992 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.9 -27.71 66.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.256 0.551 . . . . 0.0 109.939 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.56 -48.32 33.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.124 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.87 -44.04 97.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.749 -175.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.676 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 71.1 mtm -68.64 -28.11 66.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.922 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.62 -37.48 65.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.905 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HB3' HG11 ' A' ' 77' ' ' VAL . 2.8 m-20 -61.43 -34.13 74.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.026 0.441 . . . . 0.0 110.482 176.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.417 ' O ' ' HG3' ' A' ' 43' ' ' MET . 82.5 mtp -65.12 -37.91 88.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.482 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.82 -42.6 96.96 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.479 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.2 ptp -75.82 -27.94 58.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.531 ' O ' HG22 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.68 -28.68 51.17 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.635 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.64 74.71 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.336 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -59.71 -47.25 86.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.476 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -65.9 -28.69 69.13 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 43' ' ' MET . 71.7 t -62.07 -53.93 41.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.77 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.5 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 7.1 p30 -68.0 -32.9 73.61 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.286 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -59.23 -52.53 65.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.979 0.419 . . . . 0.0 110.095 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -70.1 -42.94 72.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.518 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.735 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.6 tmm? -68.58 -39.59 80.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.01 -175.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.106 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.64 -11.99 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.281 175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' A' ' 51' ' ' MET . 41.7 ttp -69.51 -37.02 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.623 174.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 87.08 163.69 39.19 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.923 174.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -76.49 149.94 31.37 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.502 2.135 . . . . 0.0 111.931 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.535 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 45.6 m-80 61.36 53.21 2.67 Favored Pre-proline 0 N--CA 1.467 0.408 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.911 -177.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 10.1 Cg_endo -89.8 157.97 5.08 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.97 2.447 . . . . 0.0 113.01 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -67.23 139.06 48.98 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.7 2.266 . . . . 0.0 110.999 175.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.24 -24.23 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -71.02 -19.65 62.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.462 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -75.69 -50.49 15.25 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.55 -36.05 73.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.116 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -51.99 -51.55 56.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.658 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.48 -25.61 57.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.451 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -40.44 76.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -63.03 -50.52 70.32 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.6 m -60.45 -45.83 92.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.459 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.18 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.338 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.435 ' O ' HG21 ' A' ' 74' ' ' VAL . 15.0 tmm? -67.44 -46.87 71.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.972 0.415 . . . . 0.0 109.933 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.85 78.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.494 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.78 86.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.03 -29.06 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.972 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.646 ' O ' HG23 ' A' ' 77' ' ' VAL . 83.0 t -69.49 -40.47 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 171.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.44 -36.19 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -59.65 -41.19 89.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.339 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 74' ' ' VAL . 1.4 m -71.83 -28.2 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.463 . . . . 0.0 109.878 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 74' ' ' VAL . 47.5 t -77.91 -26.9 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.983 0.421 . . . . 0.0 110.36 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -12.29 60.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.013 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 t -78.05 -7.71 57.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 110.199 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m -88.62 130.5 45.06 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.79 160.69 47.17 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.022 1.815 . . . . 0.0 110.523 170.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.61 -28.03 27.69 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.042 2.495 . . . . 0.0 113.463 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.85 -56.84 6.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.645 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.4 p -86.91 -7.05 58.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.09 -46.8 65.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.411 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -59.39 -38.86 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.327 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.42 -33.66 67.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.232 0.539 . . . . 0.0 110.443 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.63 -48.74 63.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.357 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -49.7 75.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.226 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -62.53 -31.66 72.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -68.79 -41.7 78.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.548 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.72 -49.58 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.09 -22.21 68.67 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.269 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.26 -52.52 7.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 110.708 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.52 -39.98 94.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.964 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 97' ' ' LEU . 2.5 tm? -65.44 -29.84 70.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.305 0.574 . . . . 0.0 109.917 -178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -71.57 -38.64 70.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.656 -178.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 9.8 pt-20 -82.36 -39.51 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.889 -174.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.3 p -61.87 -31.52 71.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.767 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 107' ' ' SER . 61.5 mmm -56.45 -49.36 74.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 ptp -80.5 -28.23 37.52 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.056 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.13 -29.74 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.419 . . . . 0.0 110.618 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.452 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -69.12 -69.42 0.33 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.3 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 10.2 t 166.62 -25.38 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.258 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.2 1.75 59.04 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.392 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 101' ' ' MET . 36.2 m 63.49 172.78 0.16 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.08 0.467 . . . . 0.0 110.376 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -103.12 100.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.781 0.8 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.36 150.33 31.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.452 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.446 ' N ' HD21 ' A' ' 110' ' ' ASN . 0.9 OUTLIER -82.49 -34.75 27.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.254 -176.45 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.88 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.703 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.34 -58.42 7.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.508 ' O ' ' HG2' ' A' ' 117' ' ' MET . 17.5 p -55.16 -48.58 73.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.292 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -56.85 -50.32 72.79 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.927 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.32 -43.78 89.91 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.521 0.2 . . . . 0.0 110.888 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 120' ' ' VAL . 70.5 t -59.38 -49.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' A' ' 113' ' ' THR . 68.1 mmm -56.46 -47.76 78.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -54.81 -49.43 71.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.3 mt -65.23 -44.26 88.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.566 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 116' ' ' VAL . 69.8 t -57.07 -43.33 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.448 . . . . 0.0 110.82 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -71.41 -43.35 66.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.121 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 49.3 ttp -73.78 -28.48 61.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.686 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.29 11.93 30.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.693 0.282 . . . . 0.0 111.105 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 p -117.61 -63.36 1.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.217 0.532 . . . . 0.0 111.064 -179.556 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 tt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -82.78 14.76 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -40.96 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.221 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -145.25 140.67 16.25 Favored Pre-proline 0 N--CA 1.447 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.772 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.4 Cg_exo -41.53 -50.97 4.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 124.199 3.266 . . . . 0.0 114.277 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.33 -36.49 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.557 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.13 -48.92 64.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.214 0.53 . . . . 0.0 111.235 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.31 -42.66 59.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.64 -175.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.615 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.681 0.277 . . . . 0.0 111.047 -178.382 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.3 m -59.57 -51.21 70.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.24 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -26.98 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.26 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -69.11 -44.95 71.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -68.49 -40.8 80.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.497 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 6.4 m-20 -63.74 -30.11 71.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.134 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.74 -48.96 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.489 . . . . 0.0 109.813 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.03 -47.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.245 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.1 pt20 -65.68 -35.51 80.97 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.794 0.331 . . . . 0.0 110.824 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.5 t -67.21 -45.83 75.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.095 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -22.09 62.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.786 -177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -74.01 -29.62 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -103.08 15.43 29.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.389 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.0 p -71.19 -48.82 49.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.463 0.649 . . . . 0.0 110.614 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.59 -3.25 59.2 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG12 HD11 ' A' ' 32' ' ' LEU . 3.8 p -105.43 -30.64 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.989 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 HD11 HG12 ' A' ' 31' ' ' VAL . 8.2 mp -76.28 140.99 41.79 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.6 p -73.96 168.61 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.52 -25.68 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.596 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.22 -56.43 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.497 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 40' ' ' MET . 80.1 mt-30 -53.52 -43.02 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.481 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.3 ptp -64.82 -30.37 71.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.711 0.291 . . . . 0.0 111.062 -177.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.06 -37.91 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.078 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.1 m-20 -65.17 -25.69 67.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 82.7 mmm -59.24 -30.1 68.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.76 -49.25 56.49 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.623 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.1 ptp -65.8 -28.52 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.928 0.394 . . . . 0.0 110.611 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.536 ' O ' HG22 ' A' ' 47' ' ' VAL . 42.9 ttp -65.99 -46.27 78.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.983 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.97 78.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.73 -45.1 91.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.619 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -37.56 83.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.53 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 43' ' ' MET . 87.7 t -61.51 -51.2 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.336 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.615 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 25.0 p30 -69.38 -26.15 64.52 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.107 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 t -62.38 -53.26 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.772 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.4 tmm? -70.9 -44.59 65.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.847 -177.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -68.29 -37.15 80.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -81.45 3.4 24.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.68 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 43.0 ttm -68.58 -37.62 80.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 149.86 17.09 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.593 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.11 140.21 82.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.59 2.194 . . . . 0.0 111.546 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 62.37 78.93 0.28 Allowed Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 109.891 -173.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.8 Cg_exo -65.76 121.67 9.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.411 2.741 . . . . 0.0 113.459 -174.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -82.96 149.87 13.88 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.51 2.14 . . . . 0.0 111.786 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.62 -26.67 68.74 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -64.58 -22.89 67.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.999 0.428 . . . . 0.0 110.449 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 66' ' ' MET . 25.8 mmt180 -82.37 -45.54 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.674 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 58' ' ' PRO . 7.9 mp -57.04 -47.4 81.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.19 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -68.87 -4.66 17.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.976 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.22 -6.33 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.678 0.275 . . . . 0.0 110.934 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.5 mmm -88.38 -36.44 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.769 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -44.98 84.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.877 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -77.32 -29.15 53.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.891 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.51 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.446 ' O ' HG22 ' A' ' 74' ' ' VAL . 36.4 ttm -58.96 -45.09 91.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.861 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.42 -46.09 62.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.968 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.433 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -73.49 -41.14 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.945 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 78' ' ' VAL . 55.6 t -66.42 -31.6 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.098 0.475 . . . . 0.0 109.813 175.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.09 76.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.338 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -57.71 -55.42 35.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.443 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.0 -29.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.484 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.7 t -80.69 -29.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.812 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.47 -23.16 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 m -88.41 11.99 15.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.12 0.486 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -89.67 134.31 32.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.104 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.55 152.76 53.04 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 122.523 2.149 . . . . 0.0 111.749 172.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.71 -51.14 10.25 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.275 2.65 . . . . 0.0 113.851 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -77.44 -4.22 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 111.535 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 89' ' ' VAL . 16.4 m -101.05 -32.22 10.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.821 0.343 . . . . 0.0 110.248 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -52.1 -52.29 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.336 -174.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -62.44 -32.72 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.928 0.394 . . . . 0.0 111.731 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.31 -37.03 61.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.494 . . . . 0.0 109.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 85' ' ' SER . 98.0 t -69.35 -36.75 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.812 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HG ' ' CE ' ' A' ' 121' ' ' LYS . 3.4 tt -55.4 -53.08 60.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.441 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -66.77 -40.28 88.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.128 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.0 m -61.07 -51.63 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.4 mm -57.98 -48.05 85.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.696 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.81 -42.68 98.18 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.709 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.58 69.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.13 -42.81 95.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.446 HD12 HG22 ' A' ' 113' ' ' THR . 1.4 tm? -63.04 -43.85 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -52.86 -57.17 11.12 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.348 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.51 -53.01 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.697 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 m -50.89 -40.29 56.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.125 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.3 mmm -59.63 -49.71 76.69 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.943 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -31.11 61.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.91 -23.21 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.835 177.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.67 -69.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.153 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.6 t 176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.06 31.38 4.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.203 -173.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p 51.66 -171.55 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.506 0.723 . . . . 0.0 111.627 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -107.98 102.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-O 121.788 0.804 . . . . 0.0 110.135 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.73 161.06 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.239 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.27 -4.02 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -178.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.93 -59.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.584 0.231 . . . . 0.0 111.18 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -56.1 -53.87 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.193 0.52 . . . . 0.0 110.039 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.446 HG22 HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -58.37 -24.18 59.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.607 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -85.74 -49.76 7.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.417 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.81 -42.62 85.58 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 116.925 -0.125 . . . . 0.0 111.195 -177.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.628 ' O ' HG22 ' A' ' 120' ' ' VAL . 8.6 p -60.57 -39.53 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.51 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 1.2 mmt -60.51 -49.86 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.54 -44.71 89.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.851 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.79 -44.68 96.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.6 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 116' ' ' VAL . 84.7 t -53.37 -51.94 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.547 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.452 ' CE ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.47 -49.86 73.4 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.557 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 48.4 ttp -66.77 -29.9 69.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.924 0.392 . . . . 0.0 111.779 -175.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.61 1.03 56.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.0 p -124.11 -31.4 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.923 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.655 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.276 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.583 HD11 ' SD ' ' A' ' 18' ' ' MET . 15.9 tt . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 121.148 0.499 . . . . 0.0 112.263 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -77.13 23.67 0.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.985 -0.447 . . . . 0.0 111.096 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.423 ' H ' ' C ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -73.76 -43.07 60.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -175.421 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -132.14 130.14 21.94 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.559 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.786 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.9 Cg_exo -40.79 -53.03 3.01 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 124.54 3.494 . . . . 0.0 114.73 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -56.92 -38.56 73.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.342 . . . . 0.0 111.51 -175.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.58 65.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.09 0.471 . . . . 0.0 111.098 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.73 74.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.116 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.473 ' HA ' ' HE3' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.46 -38.41 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.28 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 m -59.11 -41.17 87.54 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.622 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.583 ' SD ' HD11 ' A' ' 8' ' ' ILE . 27.7 mtm -58.09 -48.48 80.04 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.589 0.709 . . . . 0.0 109.795 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -51.42 -56.7 11.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.881 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -72.88 -20.89 61.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -176.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.489 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 11.9 m-80 -70.35 -35.96 73.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.05 0.452 . . . . 0.0 110.248 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.95 -42.13 94.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.62 -46.58 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.097 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -68.86 -25.92 64.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.654 -177.157 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.22 -44.97 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.526 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -25.88 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 p -69.65 -41.08 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.561 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -105.26 18.64 21.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.998 0.428 . . . . 0.0 111.331 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -53.25 52.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.031 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.83 -4.77 32.32 Favored Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.583 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG1' HD12 ' A' ' 32' ' ' LEU . 5.5 p -101.9 -31.11 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.696 0.284 . . . . 0.0 111.19 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD12 ' CG1' ' A' ' 31' ' ' VAL . 6.6 mp -80.47 167.53 20.04 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -103.55 163.87 12.02 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.786 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.08 -36.19 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.105 0.479 . . . . 0.0 110.505 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -87.95 23.55 2.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.78 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -134.91 -38.78 0.79 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.318 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.9 ptp -75.38 -25.25 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.196 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -72.34 -37.55 68.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 110.558 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.14 -25.56 66.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.563 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 37' ' ' MET . 71.5 mmm -59.66 -33.59 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.441 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -48.99 75.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptp -76.72 -18.25 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.797 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' HG23 ' A' ' 47' ' ' VAL . 13.0 tmm? -62.99 -43.99 97.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.21 -42.68 99.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.546 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t -68.12 -29.45 68.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.572 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 43' ' ' MET . 58.4 t -65.01 -54.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.644 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -66.52 -25.35 66.64 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.982 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.9 m -63.56 -55.69 21.85 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 120.827 0.346 . . . . 0.0 110.516 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -69.87 -33.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.435 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.786 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 3.0 tmm? -68.14 -53.42 25.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.893 -174.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -66.48 -32.84 74.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.734 0.302 . . . . 0.0 111.203 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -67.05 -8.33 29.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.52 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.8 mtm -69.92 -34.53 73.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.794 0.331 . . . . 0.0 110.36 173.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.19 167.94 13.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.419 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.2 -14.66 25.75 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.982 2.455 . . . . 0.0 112.193 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.57 75.69 16.32 Favored Pre-proline 0 C--N 1.313 -1.008 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.159 -177.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.23 128.51 9.01 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.757 2.304 . . . . 0.0 112.826 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' HD22 ' A' ' 63' ' ' LEU . 60.0 Cg_endo -74.98 167.98 25.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.417 2.078 . . . . 0.0 111.651 175.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -56.41 -35.85 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -68.1 -12.25 60.53 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -92.84 -49.96 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.856 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -57.25 -46.86 82.62 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.325 -176.77 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 5.5 ptt180 -63.86 -34.74 78.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.065 -175.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.5 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -80.32 -26.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.989 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 tpt -68.13 -30.92 70.18 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -60.21 -47.17 87.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.0 m -59.14 -37.7 77.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.703 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.35 54.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.1 ttp -67.86 -40.02 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.072 0.463 . . . . 0.0 110.246 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.54 79.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.926 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 76' ' ' GLU . . . -70.09 -43.46 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.704 0.288 . . . . 0.0 110.596 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.5 -40.29 78.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.268 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' HG21 ' A' ' 78' ' ' VAL . 28.5 m -82.87 -30.68 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.321 178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 16.3 mm-40 -59.32 -41.88 90.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.296 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 74' ' ' VAL . 6.3 p -81.77 -27.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.803 -177.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 74' ' ' VAL . 77.1 t -70.81 -32.43 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 176.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -10.74 39.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.816 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -75.26 -18.14 60.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.16 0.505 . . . . 0.0 110.589 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -76.04 123.81 88.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.84 150.8 81.37 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.61 2.207 . . . . 0.0 111.215 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.44 -35.66 36.81 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.188 2.592 . . . . 0.0 113.243 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.62 -26.67 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.911 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 m -116.67 -3.29 11.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.232 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -59.67 -50.66 72.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.464 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 m -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.96 -37.98 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.57 . . . . 0.0 110.288 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.2 t -72.25 -45.47 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.265 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -47.03 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.797 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.11 -36.29 74.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.7 m -67.82 -43.51 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.513 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.8 mm -59.2 -46.69 91.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.509 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.539 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.75 -39.18 97.64 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 113.013 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.52 -47.47 60.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.786 0.327 . . . . 0.0 111.011 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.7 m -63.55 -37.21 86.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -36.74 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.498 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 10.2 mmt180 -59.48 -56.8 17.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.641 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.05 -37.37 81.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.806 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.2 m -54.42 -35.85 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.464 ' SD ' ' HD2' ' A' ' 112' ' ' PHE . 48.0 mtp -69.19 -49.13 59.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.765 0.317 . . . . 0.0 111.582 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.5 ptm -74.96 -26.28 59.48 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.537 -174.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.94 -20.06 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.405 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.55 -66.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.422 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t 177.19 -33.04 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.55 27.42 8.71 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.415 -0.898 . . . . 0.0 114.118 -169.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.8 p 48.86 -164.72 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.98 0.512 . . . . 0.0 111.987 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.02 92.52 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.9 155.33 38.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.809 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.48 HD21 ' H ' ' A' ' 110' ' ' ASN . 0.1 OUTLIER -92.08 -5.97 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.499 -174.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -110.6 -53.71 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.265 -0.272 . . . . 0.0 111.539 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HD2' ' SD ' ' A' ' 101' ' ' MET . 84.2 t80 -56.21 -50.29 71.67 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.079 0.237 . . . . 0.0 111.273 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.451 HG22 ' SD ' ' A' ' 101' ' ' MET . 35.7 p -57.21 -42.5 81.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.289 0.566 . . . . 0.0 110.589 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.7 -49.23 77.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.378 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 42.2 mm-40 -57.09 -51.32 69.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.52 -46.9 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.977 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.1 mmt -57.74 -48.33 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.211 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -61.17 -51.36 69.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 110.628 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.52 -47.86 68.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.551 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.39 -41.05 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.106 0.412 . . . . 0.0 111.094 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.438 ' HB3' ' HZ3' ' A' ' 121' ' ' LYS . 8.6 mtpm? -69.48 -46.2 67.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -77.89 -28.43 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.209 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.22 -9.24 59.57 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.293 -0.255 . . . . 0.0 111.38 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -64.98 1.11 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.894 0.378 . . . . 0.0 110.156 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.684 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.122 -176.886 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.539 HD12 ' SD ' ' A' ' 18' ' ' MET . 19.6 tt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 121.392 0.615 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -82.82 49.6 1.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.561 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.5 p -87.36 -43.75 11.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.866 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -151.68 148.9 22.76 Favored Pre-proline 0 N--CA 1.446 -0.651 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.997 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.854 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 96.0 Cg_exo -41.63 -54.38 2.8 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 124.048 3.166 . . . . 0.0 114.061 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -59.45 -36.35 75.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.349 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -52.33 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 111.594 -176.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.72 -36.57 43.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.528 -173.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.503 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.6 OUTLIER -63.19 -30.56 71.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.739 179.668 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.438 ' CG2' ' HA ' ' A' ' 104' ' ' ALA . 54.5 m -57.44 -54.32 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.367 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.539 ' SD ' HD12 ' A' ' 8' ' ' ILE . 25.3 ptt? -65.09 -36.38 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.68 -177.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -63.9 -44.42 93.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.996 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -70.08 -40.93 74.7 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.167 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.0 m-20 -65.54 -30.12 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.128 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.88 -46.23 90.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.147 0.499 . . . . 0.0 109.914 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.5 t -64.1 -48.44 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.463 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.85 -26.65 67.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.059 -175.145 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.57 -50.85 11.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.993 0.425 . . . . 0.0 110.314 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.48 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.175 -174.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -66.15 -27.53 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 111.304 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -109.09 22.22 16.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 -177.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 p -72.37 -37.15 68.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.12 3.57 75.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -173.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -103.36 -44.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.98 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 HD21 ' OE1' ' A' ' 36' ' ' GLN . 31.6 mt -77.69 -178.68 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.06 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -117.1 166.81 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.023 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -30.59 65.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.486 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.35 -49.71 39.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.492 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 40' ' ' MET . 78.7 mt-30 -60.85 -45.39 94.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.693 -176.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 ptp -64.58 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.12 -38.4 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -66.36 -28.38 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.49 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.53 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.6 mtp -65.87 -27.83 68.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.428 . . . . 0.0 110.036 174.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.75 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.873 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ptp -76.53 -23.89 53.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.04 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' HG21 ' A' ' 47' ' ' VAL . 14.4 tmm? -63.92 -44.5 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 172.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.31 73.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.525 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.53 -32.51 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.257 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 t -69.55 -34.56 74.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 43' ' ' MET . 47.7 t -67.78 -57.3 9.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.25 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' HB3' ' HE1' ' A' ' 16' ' ' MET . 22.8 p30 -66.99 -24.79 66.07 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.716 -175.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -66.24 -47.98 72.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -80.39 -36.76 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.844 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.854 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.0 tmm? -61.52 -47.66 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.631 0.373 . . . . 0.0 111.876 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -68.17 -29.1 67.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -94.27 9.18 39.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.55 -178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.0 ttm -78.35 -24.74 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.11 131.15 7.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.978 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.58 123.86 13.52 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.349 2.033 . . . . 0.0 110.695 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 63.08 71.74 0.63 Allowed Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -168.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.47 164.95 33.73 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 123.343 2.696 . . . . 0.0 113.869 -170.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.73 145.0 50.36 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.117 2.545 . . . . 0.0 112.132 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.09 -42.62 81.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.953 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -67.91 -18.14 64.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.337 . . . . 0.0 111.409 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.36 -23.01 35.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.596 0.236 . . . . 0.0 111.146 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 mt -66.69 -51.71 52.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.856 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.31 -25.39 34.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.971 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.19 -25.67 27.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.424 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.6 tpp -78.3 -44.72 24.59 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -173.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -59.98 -32.4 70.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.566 176.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.503 HG21 ' CD2' ' A' ' 119' ' ' LEU . 25.1 m -74.22 -44.65 52.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.132 0.492 . . . . 0.0 110.259 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.32 80.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.107 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.471 ' O ' HG21 ' A' ' 74' ' ' VAL . 39.4 ttp -66.84 -38.56 86.62 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.87 -46.97 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.969 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.5 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.299 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -69.51 -43.1 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.167 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.59 ' O ' HG21 ' A' ' 77' ' ' VAL . 39.9 t -70.72 -25.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.66 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -66.3 -29.48 69.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.173 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 74' ' ' VAL . 8.7 m -82.9 -30.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.069 0.461 . . . . 0.0 110.55 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.482 HG21 ' HZ3' ' A' ' 121' ' ' LYS . 48.2 t -76.1 -21.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.457 0.646 . . . . 0.0 109.994 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.43 -11.56 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.393 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -107.39 23.25 14.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.038 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.5 m -100.98 133.54 20.97 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -64.15 131.31 30.0 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.497 2.131 . . . . 0.0 111.599 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -46.09 -38.17 18.82 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.557 2.838 . . . . 0.0 113.916 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -67.77 -18.03 64.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.853 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 m -124.01 12.68 9.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.04 0.448 . . . . 0.0 110.904 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.02 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -61.83 -30.2 70.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.48 . . . . 0.0 111.495 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.08 -37.34 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.293 0.568 . . . . 0.0 109.924 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 93' ' ' ILE . 89.4 t -70.17 -36.13 66.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.928 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.415 HD23 ' HE2' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -53.18 -56.69 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.72 175.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -68.3 -40.33 81.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.104 -175.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.8 -40.45 79.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.221 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 89' ' ' VAL . 31.6 mm -63.25 -53.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.43 -23.31 75.13 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.032 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.56 -52.66 10.11 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.889 -0.183 . . . . 0.0 111.364 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.98 -32.58 67.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.896 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.31 -40.65 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.469 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -68.01 -45.13 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.545 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.32 -43.39 77.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.257 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.5 p -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.684 0.278 . . . . 0.0 111.059 -177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.0 ttt -62.14 -43.84 97.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.241 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.32 46.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 120.869 0.366 . . . . 0.0 110.387 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.16 -4.78 23.09 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.466 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 17' ' ' THR . . . -76.05 -70.41 0.44 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.785 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.5 t 176.08 -40.59 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.55 ' O ' ' HB2' ' A' ' 107' ' ' SER . . . -67.9 -74.24 0.6 Allowed Glycine 0 C--N 1.333 0.417 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.288 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.55 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 9.0 t 162.85 179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.45 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 3.6 p -107.68 99.35 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.847 0.832 . . . . 0.0 109.697 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.1 140.35 47.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.878 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 114' ' ' ASN . 7.7 p30 -86.05 -9.01 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -172.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.21 -42.15 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.102 0.477 . . . . 0.0 109.856 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 74.0 t80 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.23 176.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 117' ' ' MET . 63.8 p -66.26 -15.72 63.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 110' ' ' ASN . 53.9 t-20 -75.76 -66.22 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.853 178.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.27 -50.87 70.12 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.953 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 120' ' ' VAL . 9.5 p -58.84 -38.82 75.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.848 -175.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.57 ' HB2' ' O ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -57.3 -53.92 52.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -68.59 -45.49 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.503 ' CD2' HG21 ' A' ' 68' ' ' THR . 9.8 mp -63.24 -34.56 77.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 116' ' ' VAL . 43.8 t -60.98 -22.4 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.201 0.524 . . . . 0.0 110.564 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 14.8 mmmt -95.37 -51.1 4.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 0.0 110.096 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 55.9 ttp -60.65 -43.4 97.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.75 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.2 mt -79.31 0.86 27.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.134 0.492 . . . . 0.0 110.493 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -104.56 -64.45 1.11 Allowed 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.279 -177.74 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.491 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 71.7 m95 -81.46 64.99 6.4 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -120.38 -35.3 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.522 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -137.62 124.71 13.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.06 -176.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.751 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 93.1 Cg_exo -44.12 -43.72 12.74 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.658 2.905 . . . . 0.0 113.726 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -80.45 7.82 8.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.439 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.8 -40.46 3.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.474 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.43 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.498 ' HA ' ' HE1' ' A' ' 16' ' ' MET . 0.2 OUTLIER -59.89 -30.32 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.4 m -56.72 -55.94 27.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.386 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -29.05 67.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.15 -176.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.413 ' HB ' ' HE1' ' A' ' 16' ' ' MET . 28.4 m -66.03 -50.1 65.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 111.131 177.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -72.73 -32.9 66.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.562 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.7 m-20 -65.25 -32.77 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.411 . . . . 0.0 110.275 176.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -45.74 91.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.02 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.32 -47.33 93.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 8.2 pt20 -70.45 -31.36 68.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.866 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.36 -45.77 68.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.183 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.05 -24.77 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.805 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.62 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 8.4 t -73.91 -10.76 59.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.48 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -115.13 20.18 15.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.1 p -81.51 -42.91 19.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 111.213 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.26 80.43 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.27 -45.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.101 -0.55 . . . . 0.0 110.186 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.38 139.48 45.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.474 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -82.75 169.53 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.607 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -30.22 66.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.938 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -90.17 0.42 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.406 -174.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 74.2 mtm -108.78 -0.62 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.723 173.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.5 -43.16 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -68.4 -32.97 73.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.147 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.411 ' SD ' HG21 ' A' ' 77' ' ' VAL . 57.3 mmm -60.89 -36.68 79.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.438 . . . . 0.0 110.576 172.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.66 -50.01 56.59 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.08 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -71.04 -20.9 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.409 ' O ' HG21 ' A' ' 47' ' ' VAL . 15.5 tmm? -67.6 -45.35 75.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.57 76.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.99 0.424 . . . . 0.0 110.562 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -17.78 64.91 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.607 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 t -92.66 -32.5 14.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.238 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 43' ' ' MET . 57.3 t -62.85 -49.35 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.039 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 13.9 p30 -68.43 -27.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.267 -0.173 . . . . 0.0 111.118 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.6 t -59.28 -42.17 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 110.091 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -81.28 -36.42 29.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.021 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.751 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 17.5 tmm? -70.12 -33.65 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.471 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.1 -25.0 61.57 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.547 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -81.57 -5.21 57.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.271 175.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.491 ' SD ' ' HB3' ' A' ' 9' ' ' TRP . 46.3 ttm -81.87 -57.12 3.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.872 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.45 164.32 30.67 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.821 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.28 134.3 12.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.744 2.296 . . . . 0.0 112.071 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 57.57 60.7 6.46 Favored Pre-proline 0 N--CA 1.469 0.495 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.078 -173.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -86.89 170.59 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.031 2.487 . . . . 0.0 113.236 -171.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.6 136.28 21.07 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.192 1.928 . . . . 0.0 111.449 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -64.54 -16.63 62.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -68.02 -21.47 65.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.21 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 66' ' ' MET . 23.8 mmt85 -78.53 -37.57 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.503 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -57.63 -37.72 73.79 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.79 -32.92 62.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.731 0.301 . . . . 0.0 111.516 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.471 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 93.3 mmm -67.58 -30.66 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -58.61 -51.28 70.57 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.41 HG21 ' CD1' ' A' ' 119' ' ' LEU . 83.0 m -67.22 -44.02 80.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.09 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.54 80.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.797 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.437 ' O ' HG21 ' A' ' 74' ' ' VAL . 41.0 ttp -68.0 -41.69 81.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.165 -176.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.76 71.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.23 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.16 -31.09 67.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 77' ' ' VAL . 84.3 t -68.46 -39.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 0.0 110.081 173.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.75 -30.4 69.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.999 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.76 -43.99 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.305 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 74' ' ' VAL . 5.1 m -75.84 -21.39 15.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.233 0.539 . . . . 0.0 110.477 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 74' ' ' VAL . 52.6 t -80.16 -33.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -18.93 65.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.2 m -75.79 -11.91 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.203 0.525 . . . . 0.0 110.675 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 m -86.16 131.57 46.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -63.21 147.79 93.65 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.543 2.162 . . . . 0.0 111.11 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.93 -34.11 36.08 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.216 2.61 . . . . 0.0 113.29 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.83 -39.64 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 111.615 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m -98.13 -5.03 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.11 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.85 -47.17 74.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.429 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -58.98 -35.75 73.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.479 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.52 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 0.0 110.324 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 93' ' ' ILE . 84.6 t -72.46 -45.58 59.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.327 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -57.88 -48.29 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.12 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.68 -36.35 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.033 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.3 m -65.07 -41.21 95.29 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.756 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.5 mm -55.76 -53.94 31.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.226 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.13 92.74 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.65 85.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 0.0 111.278 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 88.0 m -75.2 -30.23 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 1.7 tm? -64.3 -50.13 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.411 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -59.67 -45.68 91.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.727 -176.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -59.7 -57.99 10.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.053 0.454 . . . . 0.0 111.054 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 m -50.9 -42.79 59.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.897 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 45.1 mmm -54.73 -53.38 55.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.908 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.1 ptm -78.1 -31.13 49.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.492 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.4 -20.18 66.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.526 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -67.67 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.526 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 165.02 -26.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.34 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.97 23.36 26.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.492 -172.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.9 p 52.75 -175.54 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.265 0.626 . . . . 0.0 111.722 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.0 p -110.69 99.15 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 121.686 0.755 . . . . 0.0 110.31 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.86 148.99 43.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.606 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.63 -44.58 49.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.383 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.88 83.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.667 0.27 . . . . 0.0 111.019 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -59.66 -45.97 90.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.254 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.1 p -64.49 -37.51 87.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.65 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -70.55 -37.89 74.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.538 0.209 . . . . 0.0 110.773 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -55.91 -55.22 35.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.895 173.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.83 -49.34 81.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.287 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.4 mmt -74.46 -1.73 22.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -175.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -108.1 -50.58 3.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' A' ' 68' ' ' THR . 3.2 mm? -63.87 -41.21 97.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -177.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.43 -33.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -79.71 -46.68 16.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.053 0.454 . . . . 0.0 110.273 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.17 -36.1 82.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.382 -176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -89.92 10.11 25.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.665 0.269 . . . . 0.0 111.536 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.8 p -124.67 -62.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.29 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.66 175.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.644 HG12 ' SD ' ' A' ' 18' ' ' MET . 8.6 tp . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.485 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . 94.8 m95 -76.99 30.1 0.13 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.124 -0.36 . . . . 0.0 110.928 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.457 ' H ' ' C ' ' A' ' 8' ' ' ILE . 1.6 m -79.81 -43.34 22.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.329 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -147.67 152.6 41.68 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.387 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.03 -52.8 5.93 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.923 3.082 . . . . 0.0 113.654 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.2 7.15 2.94 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.562 0.696 . . . . 0.0 111.288 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.77 -56.59 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.196 0.522 . . . . 0.0 110.006 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.62 -46.0 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.041 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.632 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -65.41 -43.66 89.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.398 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -53.02 -48.98 67.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.033 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.644 ' SD ' HG12 ' A' ' 8' ' ' ILE . 13.7 ptt? -64.58 -34.49 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.374 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 18' ' ' MET . 43.6 m -62.35 -53.63 52.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.842 -176.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -74.83 -25.63 59.14 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.644 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.519 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 55.0 m-20 -66.62 -33.92 76.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.212 0.529 . . . . 0.0 110.094 173.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.2 -38.8 91.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.59 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.43 -47.12 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.911 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.82 -34.03 77.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 -177.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -72.13 -41.92 66.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.358 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.15 69.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -68.31 -41.9 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.55 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -102.0 25.6 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.119 0.485 . . . . 0.0 110.21 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 p -74.07 -42.1 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.844 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.42 4.81 59.38 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -173.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.25 -61.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.519 -0.341 . . . . 0.0 110.418 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.11 148.66 47.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.5 p -87.75 168.88 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.707 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.19 -30.05 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.169 0.509 . . . . 0.0 110.458 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -53.89 12.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.669 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -64.79 -35.39 80.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.698 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 ptp -71.69 -19.64 62.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.217 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.82 -34.03 57.93 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.051 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -63.62 -34.69 78.38 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.62 -40.59 88.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.483 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.56 -39.98 97.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.037 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtm -68.09 -37.05 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.419 ' O ' HG21 ' A' ' 47' ' ' VAL . 14.2 tmm? -61.5 -48.61 80.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.141 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.81 -40.61 95.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.702 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 23.3 t -67.94 -40.65 83.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.338 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 43' ' ' MET . 86.4 t -58.26 -47.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.376 -175.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.632 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 8.9 p30 -67.38 -31.78 72.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.384 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -67.67 -46.85 71.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' SER . 75.4 mt-30 -62.13 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.916 179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.36 -45.98 90.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.37 -29.04 63.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.228 -177.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -78.16 -21.05 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.444 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.697 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 53.4 ttp -70.37 -30.95 68.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 170.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 121.89 150.5 8.26 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.52 173.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.76 18.12 0.64 Allowed 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.026 2.484 . . . . 0.0 111.617 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -166.7 69.09 1.04 Allowed Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 114.64 -1.164 . . . . 0.0 107.868 -177.686 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.403 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 16.7 Cg_exo -68.89 139.44 43.32 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.516 2.81 . . . . 0.0 113.805 -170.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -67.86 143.57 61.51 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.125 1.883 . . . . 0.0 110.906 171.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -53.48 -37.45 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -69.64 -20.23 63.6 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.545 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.697 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 15.1 mmt180 -74.57 -32.86 62.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.885 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 9' ' ' TRP . 9.1 mp -63.01 -34.13 76.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 178.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.584 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.3 mpt_? -86.64 4.32 40.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.566 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.64 -15.26 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.595 173.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 86.6 mmm -89.59 -19.82 24.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.121 0.486 . . . . 0.0 110.703 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -55.24 -56.29 21.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -64.69 -37.2 86.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.27 8.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.218 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.428 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.0 tmm? -67.85 -45.87 73.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.214 -178.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.75 67.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.591 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.09 -48.53 73.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.315 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.03 -26.1 63.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.142 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 70' ' ' MET . 93.8 t -74.75 -44.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 109.925 172.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 120' ' ' VAL . . . -59.52 -30.56 68.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.439 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.04 -38.66 79.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.228 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.76 -33.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 t -80.51 -16.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.143 -177.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.35 29.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.968 0.414 . . . . 0.0 111.785 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 m -101.09 5.08 42.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.37 0.605 . . . . 0.0 110.382 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 m -100.75 117.45 62.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.35 146.6 97.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.848 2.365 . . . . 0.0 111.798 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -40.41 -44.87 4.34 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.127 3.218 . . . . 0.0 114.291 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -53.59 -51.1 64.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.275 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -89.08 -22.76 22.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.617 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.419 ' OH ' ' HA ' ' A' ' 121' ' ' LYS . 61.7 t80 -52.99 -45.15 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.219 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.24 -31.89 70.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.478 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.47 -37.15 57.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.12 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.3 t -69.31 -45.85 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.036 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -48.34 81.99 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.894 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.25 -37.73 81.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.843 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.8 m -61.35 -47.84 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.486 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.2 mm -57.32 -51.95 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.299 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.35 99.58 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.797 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.648 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -67.68 -53.53 26.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.669 0.271 . . . . 0.0 110.981 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.57 -37.74 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.122 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.17 -46.27 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.949 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 29.2 ptt180 -62.44 -37.74 87.05 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.273 0.558 . . . . 0.0 110.542 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.5 mm-40 -68.59 -49.6 58.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.764 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.405 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 70.2 m -54.14 -41.64 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -175.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.518 ' SD ' ' HA ' ' A' ' 108' ' ' VAL . 1.7 ptp -67.75 -38.76 83.91 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.686 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 14.2 ptm -76.85 -26.08 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.175 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.13 -21.99 60.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.117 0.484 . . . . 0.0 110.48 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.56 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.88 -62.58 1.65 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.166 175.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 164.68 -18.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.929 -177.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.99 0.56 66.12 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.648 -173.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m 62.34 -164.12 0.25 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -176.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.518 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 19.1 t -108.3 101.72 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.24 125.24 34.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.761 177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -82.5 -1.53 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.55 -49.95 4.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -48.67 80.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 p -58.4 -44.19 88.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.324 0.583 . . . . 0.0 110.608 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -66.5 -38.01 86.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.647 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.59 -52.32 46.7 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 123.019 0.528 . . . . 0.0 110.731 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.6 t -61.69 -41.94 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.407 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 0.0 OUTLIER -55.51 -51.65 66.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 122.597 0.359 . . . . 0.0 111.26 -178.422 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.83 -49.08 76.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.479 -177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.4 t -59.89 -46.34 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 110.576 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.419 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 57.3 mtpt -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.455 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.3 ttp -75.28 -39.21 59.91 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.264 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.5 mt -87.12 5.62 36.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.812 0.339 . . . . 0.0 111.249 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -110.7 -61.01 1.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.031 0.443 . . . . 0.0 110.891 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 121.886 0.851 . . . . 0.0 111.212 -174.581 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.467 HG12 ' SD ' ' A' ' 18' ' ' MET . 7.9 tp . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -82.07 25.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.351 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 8' ' ' ILE . 15.9 m -61.77 -48.54 80.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.407 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -143.21 150.98 54.08 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.83 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 82.2 Cg_exo -44.26 -50.74 7.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.935 3.09 . . . . 0.0 114.097 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -56.98 -43.77 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.29 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.064 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -69.39 -44.89 70.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.391 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.497 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -65.21 -30.54 71.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.984 -177.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -51.35 70.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.185 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.9 ptt? -65.66 -35.68 81.48 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.843 -177.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -63.12 -45.08 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -67.31 -45.68 75.76 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 3.7 m-20 -63.8 -29.36 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.222 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.17 -44.72 94.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 109.957 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -47.22 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.3 pp0? -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.795 0.331 . . . . 0.0 110.603 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.19 -46.16 61.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.101 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.26 -22.24 65.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -70.7 -32.8 70.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.105 0.478 . . . . 0.0 110.385 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -97.95 12.74 33.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.378 -175.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -69.46 -42.69 74.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.981 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.67 3.6 88.1 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.06 -39.42 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.058 -0.571 . . . . 0.0 110.443 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.0 mt -83.73 168.25 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.545 ' O ' ' HG3' ' A' ' 37' ' ' MET . 12.6 p -94.84 167.32 11.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.539 177.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.154 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.16 -40.33 62.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.205 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.51 -38.01 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.486 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' A' ' 33' ' ' THR . 42.9 mtt -66.78 -37.18 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 110.089 175.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.64 -46.64 84.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.265 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.79 -38.79 86.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.423 ' O ' ' HE1' ' A' ' 43' ' ' MET . 78.8 mmm -59.24 -36.02 74.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.502 175.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -40.08 62.06 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.773 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.0 ptp -75.73 -30.14 59.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.809 0.305 . . . . 0.0 111.671 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -74.81 -25.33 58.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.16 -176.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.85 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.59 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.37 -25.97 63.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.5 t -78.24 -33.92 49.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 43' ' ' MET . 54.6 t -64.22 -57.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.018 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 14.8 p30 -67.69 -27.56 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 33.1 t -62.52 -55.27 28.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.23 -29.44 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.307 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.83 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.9 tmm? -68.17 -33.39 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.57 -21.65 57.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.5 mmtt -80.26 -15.44 56.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.388 0.614 . . . . 0.0 109.583 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.487 ' SD ' ' HG3' ' A' ' 58' ' ' PRO . 35.6 ttm -70.73 -56.3 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.18 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.09 143.75 15.52 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.233 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.9 141.52 94.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.767 2.311 . . . . 0.0 112.122 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 55.29 67.19 3.26 Favored Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.577 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 42.4 Cg_endo -96.5 172.85 0.9 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.209 2.606 . . . . 0.0 113.632 -173.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.8 150.77 31.01 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.841 2.361 . . . . 0.0 111.252 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.426 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 13.4 pt20 -66.39 -20.44 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.18 -23.94 67.24 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.792 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.494 ' O ' ' HG2' ' A' ' 66' ' ' MET . 24.2 mmt180 -73.45 -40.86 63.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.218 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.09 -41.73 99.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.085 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 12.1 mpt_? -74.55 0.26 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.503 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -111.6 -18.84 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.716 176.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.2 mmm -87.15 -27.67 22.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.362 -175.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 10.8 p30 -51.53 -46.14 63.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.356 172.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 19.7 m -76.24 -35.91 58.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.573 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.51 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.347 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.5 ttp -87.36 -43.31 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.258 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.16 -47.37 62.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.097 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.9 81.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.734 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.9 mm-40 -72.59 -44.3 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.933 0.396 . . . . 0.0 110.511 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.493 ' O ' HG21 ' A' ' 77' ' ' VAL . 58.1 t -65.5 -31.72 55.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.68 64.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.523 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.95 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.348 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 74' ' ' VAL . 23.4 m -70.79 -31.71 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.348 . . . . 0.0 110.552 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.8 t -72.92 -39.83 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.156 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.4 -22.38 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.957 0.408 . . . . 0.0 111.405 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 m -91.34 3.27 55.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.418 0.628 . . . . 0.0 110.358 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -94.29 120.69 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.46 151.42 70.8 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.744 2.296 . . . . 0.0 112.529 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.69 86.44 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.114 2.543 . . . . 0.0 112.83 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -164.04 -38.18 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.055 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 89' ' ' VAL . 31.3 t -134.1 25.24 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.027 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -68.2 -49.4 61.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.307 -174.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -62.38 -29.17 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.84 78.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 0.0 110.223 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 85' ' ' SER . 73.6 t -60.05 -48.73 86.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.414 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.7 mt -62.62 -41.34 98.96 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.714 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -65.82 -34.47 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.531 0.205 . . . . 0.0 111.042 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.8 m -61.08 -52.83 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.364 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.4 mm -58.99 -46.79 91.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.588 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.49 -29.96 75.01 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.539 -176.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.98 -49.21 7.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.641 0.257 . . . . 0.0 111.006 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.3 m -58.95 -36.76 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.587 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.75 -38.04 86.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 110.159 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 63.4 mtt180 -66.35 -52.9 42.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 100' ' ' SER . 5.4 pt-20 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.888 0.375 . . . . 0.0 110.803 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.0 m -57.46 -36.09 70.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.53 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 83.0 mtp -67.77 -45.08 75.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ptm -79.95 -11.89 59.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.388 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -18.98 40.27 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 171.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.461 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -84.08 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.816 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 171.87 -19.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.624 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.91 6.06 84.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.646 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.2 m 57.62 -168.36 0.12 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.907 0.353 . . . . 0.0 110.851 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.24 92.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.61 152.71 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.643 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -87.72 -16.81 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.7 -51.37 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.458 -175.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.91 -38.59 91.6 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.0 p -70.21 -8.58 51.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.433 0.635 . . . . 0.0 110.952 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.85 -43.38 4.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.903 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.51 -53.81 53.04 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.706 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.539 ' O ' HG21 ' A' ' 120' ' ' VAL . 8.6 p -63.41 -36.87 77.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 71.9 mmm -65.33 -48.44 73.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.1 -43.04 66.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.282 0.563 . . . . 0.0 110.183 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.91 -47.21 63.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.539 HG21 ' O ' ' A' ' 116' ' ' VAL . 59.8 t -54.53 -56.53 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.722 0.296 . . . . 0.0 110.459 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -53.65 -43.05 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.365 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -81.75 -29.78 32.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.335 -174.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.65 -6.56 59.13 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.33 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -92.18 -48.49 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.509 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -176.536 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.46 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.7 tt . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 121.058 0.456 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -72.59 -8.97 57.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.107 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.6 m -74.01 -14.36 61.01 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.999 0.428 . . . . 0.0 111.318 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -132.21 112.59 14.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.662 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 58.6 Cg_exo -51.41 -41.62 58.77 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.379 2.719 . . . . 0.0 112.983 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -83.74 18.01 2.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.782 0.801 . . . . 0.0 110.658 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.0 -47.59 1.78 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.697 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.233 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.656 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.4 mmt -70.69 -29.53 65.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.749 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.1 m -61.32 -49.71 75.87 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.714 0.292 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.46 ' SD ' HD13 ' A' ' 8' ' ' ILE . 24.0 ptt? -64.83 -37.3 87.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.474 HG21 HG22 ' A' ' 47' ' ' VAL . 56.3 m -65.69 -49.44 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.497 -176.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -66.94 -36.9 83.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.573 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 91.9 m-20 -70.02 -31.44 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 110.814 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.11 -40.9 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 109.878 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.19 -43.44 84.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.083 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.2 pp0? -69.35 -37.76 77.81 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.685 -177.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.6 t -67.35 -46.06 74.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -28.09 67.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.187 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 t -68.48 -30.6 69.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.018 0.437 . . . . 0.0 110.694 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -108.29 19.19 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -176.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.12 -40.83 71.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.92 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 9.15 82.77 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.18 -44.16 6.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.432 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.35 178.07 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.227 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' A' ' 37' ' ' MET . 13.4 t -112.72 168.52 9.61 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.9 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.17 72.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.4 -33.71 65.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -70.73 -23.56 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 33' ' ' THR . 54.6 mtt -71.15 -24.39 62.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.55 -38.14 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 42' ' ' MET . 38.7 m-20 -58.01 -47.93 81.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.49 0.662 . . . . 0.0 109.423 173.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.413 ' O ' ' HE3' ' A' ' 43' ' ' MET . 89.0 mmm -56.04 -40.28 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.395 176.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.17 -41.11 54.61 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.5 ptp -69.01 -34.07 74.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.811 0.306 . . . . 0.0 111.439 -175.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.413 ' HE3' ' O ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -77.81 -31.17 51.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.842 -177.783 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . . . -75.17 -4.18 37.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -87.93 -43.66 11.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.282 0.563 . . . . 0.0 109.827 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -72.15 -32.36 66.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.003 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.515 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 11.2 m -59.19 -49.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.656 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 9.7 p30 -69.91 -31.83 69.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.048 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -63.04 -41.63 99.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.076 0.465 . . . . 0.0 110.209 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.409 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 50.9 mt-30 -80.91 -37.55 29.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.283 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.662 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 9.8 tmm? -66.1 -39.52 90.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.71 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -70.73 -28.78 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.285 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' A' ' 50' ' ' GLN . 64.6 pttt -88.19 -0.71 57.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.706 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.8 ttm -70.13 -38.06 75.45 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 104.31 153.74 22.91 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.499 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.36 26.29 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.772 2.314 . . . . 0.0 112.15 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -163.11 84.02 1.44 Allowed Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.805 -177.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.15 124.12 12.16 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.922 2.415 . . . . 0.0 113.403 -171.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.77 47.79 2.64 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.936 2.424 . . . . 0.0 112.483 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 63.54 -74.21 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -57.32 -22.59 43.06 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.12 -19.93 59.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 112.1 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.5 mt -77.25 -41.98 38.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -177.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 19.1 ptt-85 -70.36 -14.1 62.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.1 -51.89 5.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.7 mtp -70.84 -27.29 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 11.5 p30 -63.42 -38.43 91.11 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.763 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 m -76.2 -29.13 57.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.512 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.93 -53.5 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.061 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -68.27 -43.98 76.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.059 0.456 . . . . 0.0 110.351 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.65 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.678 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.02 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.53 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mm-40 -76.09 -36.28 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.005 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.3 m -78.37 -17.29 13.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.66 -46.59 88.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.685 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.96 -27.33 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.905 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.431 HG13 ' CE2' ' A' ' 86' ' ' TYR . 39.4 t -71.93 -40.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.021 178.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.5 m -66.8 -20.1 65.88 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.803 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.5 m -83.78 135.03 43.36 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.067 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 84' ' ' GLN . 17.1 Cg_exo -67.79 153.1 76.62 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.695 2.263 . . . . 0.0 112.272 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.57 25.6 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.536 2.824 . . . . 0.0 113.136 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 82' ' ' PRO . 77.9 mt-30 -121.21 -6.18 9.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.473 0.654 . . . . 0.0 109.497 175.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -138.36 15.35 2.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.125 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.431 ' CE2' HG13 ' A' ' 78' ' ' VAL . 56.8 t80 -75.44 -47.77 25.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.295 -169.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -65.41 -29.05 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.534 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.21 85.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 93' ' ' ILE . 73.9 t -67.59 -42.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.048 177.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' HE2' ' A' ' 121' ' ' LYS . 3.1 tt -57.96 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.417 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.95 -37.31 86.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.8 m -59.64 -55.52 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.804 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.0 mm -56.23 -41.25 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -46.99 77.42 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.808 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.03 91.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.629 0.252 . . . . 0.0 110.964 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 75.4 m -76.77 -0.33 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.99 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.18 -33.84 9.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -63.94 -64.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.379 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -63.73 -35.73 81.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.755 -177.173 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.6 m -63.33 -35.44 80.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.713 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.8 ttt -63.82 -50.04 70.49 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.716 0.293 . . . . 0.0 111.017 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.0 ptp -71.34 -23.76 61.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.835 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 2.1 tp-100 -66.51 -26.01 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.227 0.536 . . . . 0.0 109.703 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.486 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.04 -63.19 1.45 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.787 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.0 t 169.84 -24.11 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.98 24.06 9.69 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.972 -171.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.8 p 47.91 -148.44 0.19 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.772 0.429 . . . . 0.0 110.708 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.87 101.13 11.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.33 144.77 35.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -81.96 -19.45 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.696 -172.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.68 -48.09 4.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.081 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -60.27 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.59 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.3 p -60.75 -41.64 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.209 0.528 . . . . 0.0 110.583 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.43 -39.74 89.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.046 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.24 -47.81 80.88 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 123.201 0.6 . . . . 0.0 110.8 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.602 ' O ' HG21 ' A' ' 120' ' ' VAL . 99.1 t -57.6 -48.21 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.608 ' O ' ' HD2' ' A' ' 121' ' ' LYS . 19.7 mmt -56.2 -52.88 62.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.1 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -54.78 -51.46 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.587 0.555 . . . . 0.0 111.024 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.02 -49.28 78.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.774 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.602 HG21 ' O ' ' A' ' 116' ' ' VAL . 67.9 t -59.56 -47.76 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.174 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.608 ' HD2' ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -62.96 -48.05 80.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.3 178.469 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 9.8 tmm? -65.86 -29.16 69.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.804 -176.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.08 9.57 30.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.9 p -131.3 -61.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.188 179.797 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.973 -0.451 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 t -141.42 156.74 45.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.49 60.32 0.18 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.402 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -128.97 134.04 48.03 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -76.18 79.33 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.198 0.523 . . . . 0.0 110.944 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -108.99 98.4 29.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.319 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -82.77 -83.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.676 2.251 . . . . 0.0 111.955 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.542 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.3 tt -128.92 -27.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -74.13 73.79 1.74 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -132.64 -7.4 3.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.742 0.782 . . . . 0.0 109.96 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -155.32 120.92 2.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.674 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.89 -47.09 22.51 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.27 2.646 . . . . 0.0 113.121 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.49 94.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.841 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.406 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -68.07 -50.84 52.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.06 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.486 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.429 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -67.91 -26.59 66.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.842 177.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 53.1 m -61.82 -53.19 59.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.516 0.198 . . . . 0.0 110.891 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.542 ' SD ' HD13 ' A' ' 8' ' ' ILE . 22.4 ptt? -61.72 -37.49 84.39 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.603 -178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -63.18 -43.15 99.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.618 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.39 -39.79 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.778 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 90.1 m-20 -61.69 -35.65 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.762 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.92 -49.57 76.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.2 -45.24 96.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.026 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.5 pp0? -66.69 -33.22 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.612 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -68.57 -49.06 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.333 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.53 -27.87 63.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.498 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -68.65 -23.88 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.091 0.472 . . . . 0.0 110.765 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -108.2 19.66 19.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -79.4 -39.07 33.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.93 2.48 88.43 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -96.71 -43.45 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.421 -0.39 . . . . 0.0 111.044 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.97 164.66 26.32 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.379 0.609 . . . . 0.0 111.56 -175.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -90.13 171.97 9.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.225 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -31.26 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.94 -48.85 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.871 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 40' ' ' MET . 75.8 mt-30 -61.74 -40.16 94.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.194 -176.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.3 mtm -67.72 -25.14 65.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.716 0.294 . . . . 0.0 111.213 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.59 -32.87 17.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.175 0.512 . . . . 0.0 109.944 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 42' ' ' MET . 10.2 t70 -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.883 176.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 87.2 mtp -65.73 -25.8 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.827 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.38 -49.43 56.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.709 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.4 ptp -69.99 -24.75 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.32 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.483 ' SD ' HG22 ' A' ' 74' ' ' VAL . 39.4 ttp -67.24 -49.27 65.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.896 174.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.37 83.28 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.648 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -59.27 -41.49 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.467 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.573 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 47.7 t -63.72 -38.77 92.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.496 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 43' ' ' MET . 59.1 t -60.39 -52.59 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.828 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -68.08 -24.58 65.07 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.318 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -66.04 -50.74 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.908 0.385 . . . . 0.0 109.994 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 46' ' ' SER . 19.4 pt20 -77.95 -22.8 48.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.869 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -66.69 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -74.17 -17.6 60.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 0.0 110.564 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 9.2 mmpt? -93.43 4.27 54.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.134 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.631 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 50.0 ttm -73.4 -38.35 65.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.647 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.43 154.07 18.88 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.737 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.76 131.75 30.34 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.784 2.323 . . . . 0.0 111.497 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 58.54 80.15 0.29 Allowed Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 -170.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.631 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 72.7 Cg_exo -51.23 114.13 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.778 2.985 . . . . 0.0 113.903 -171.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.65 139.27 27.87 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.582 2.188 . . . . 0.0 111.464 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 14.0 pt20 -64.22 -21.81 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -69.18 -18.34 63.91 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.396 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -88.26 -34.94 17.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.259 0.552 . . . . 0.0 109.718 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.6 mt -68.11 -35.37 78.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.17 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 60' ' ' GLN . 3.4 mpt_? -69.86 -17.85 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.06 -34.06 11.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.442 ' HE1' ' HG3' ' A' ' 50' ' ' GLN . 32.7 tpp -63.15 -40.81 98.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.324 -175.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -58.08 -35.8 71.92 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.658 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -76.64 -37.31 56.54 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.357 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.17 82.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.745 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.508 ' O ' HG21 ' A' ' 74' ' ' VAL . 32.2 ttm -59.7 -52.99 63.13 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 109.752 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.55 -42.39 67.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.996 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.19 79.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.16 -31.46 25.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.008 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 70' ' ' MET . 70.9 t -67.45 -35.5 73.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 110.038 172.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -31.55 67.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.464 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.3 -44.92 92.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.505 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.96 -43.41 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.331 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -73.58 -33.63 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.049 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 -13.85 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.069 0.462 . . . . 0.0 111.312 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.7 m -84.77 -4.63 59.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.437 0.636 . . . . 0.0 110.204 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -91.19 137.45 26.31 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.994 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.68 158.53 53.2 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.482 2.121 . . . . 0.0 110.634 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.52 -26.62 46.21 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.877 2.385 . . . . 0.0 112.862 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -67.02 -44.05 81.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.164 0.507 . . . . 0.0 110.844 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -97.86 -12.66 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.621 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -50.92 -50.34 57.79 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.801 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -61.48 -37.18 82.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.654 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.03 -34.64 64.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.125 0.488 . . . . 0.0 110.522 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.71 -47.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.001 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -59.83 -42.25 93.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.052 178.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.6 -42.77 88.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.978 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.38 -50.45 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.1 mm -59.14 -48.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.956 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.75 73.22 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 113.38 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.82 -54.75 4.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.609 0.242 . . . . 0.0 110.809 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.5 m -60.58 -36.24 78.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.873 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.42 -40.76 95.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 109.879 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -65.6 -49.65 67.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.236 0.541 . . . . 0.0 110.589 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -54.55 -55.78 25.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.563 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -57.23 -36.22 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.892 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.6 mmm -54.69 -51.95 63.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 111.299 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.6 ptm -78.4 -27.15 46.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.414 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -75.31 -3.75 35.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.462 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.53 -68.11 0.74 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.445 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.7 t 178.68 -29.61 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.717 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.15 17.95 58.3 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.681 -171.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.3 m 60.42 -177.11 0.1 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.262 0.531 . . . . 0.0 110.701 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.32 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.764 0.793 . . . . 0.0 110.914 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.93 139.16 30.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.616 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -67.38 -35.24 78.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.65 -173.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 115' ' ' GLU . . . -60.75 -48.06 83.51 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.21 -45.39 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.9 p -66.59 -23.98 66.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 0.0 110.547 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -72.15 -52.17 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.266 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 54.2 mt-10 -57.4 -50.98 71.26 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.677 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 120' ' ' VAL . 87.2 t -57.43 -53.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.407 ' HE1' ' HA ' ' A' ' 117' ' ' MET . 0.0 OUTLIER -57.82 -49.7 75.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.303 0.241 . . . . 0.0 111.366 -177.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -58.32 -50.41 73.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.42 -43.35 77.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.84 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.1 -50.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 120.725 0.298 . . . . 0.0 110.75 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.952 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 50.9 ttp -67.09 -37.76 84.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.334 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.7 2.3 45.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.914 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.5 t -115.27 -29.94 6.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.628 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.29 93.75 8.77 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.66 0.743 . . . . 0.0 110.777 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -143.23 102.39 3.97 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.951 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.5 m 69.44 5.25 5.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.548 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.6 72.17 10.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -140.21 -46.64 0.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.848 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -113.33 127.49 56.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.521 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.2 p -171.78 160.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 p -69.37 -14.83 63.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.906 -0.568 . . . . 0.0 110.575 177.453 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m 59.01 79.5 0.22 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.177 0.513 . . . . 0.0 111.137 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.58 -174.45 24.61 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.04 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -135.89 2.91 2.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.823 0.344 . . . . 0.0 111.174 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -113.96 150.86 33.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.535 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.419 ' HB3' HG23 ' A' ' 10' ' ' THR . 30.4 mm-40 71.7 94.16 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 O-C-N 124.049 0.843 . . . . 0.0 111.161 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -70.91 -172.41 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.764 2.309 . . . . 0.0 112.977 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 tt -73.99 -6.8 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.307 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.49 ' HB3' ' HE1' ' A' ' 54' ' ' MET . 90.8 m95 -85.05 11.72 9.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.333 -178.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.419 HG23 ' HB3' ' A' ' 6' ' ' GLN . 6.7 p -82.77 -15.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -135.69 118.2 12.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.79 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 99.6 Cg_exo -44.88 -48.4 10.8 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 123.602 2.868 . . . . 0.0 113.291 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.21 -34.71 78.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -49.01 58.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -64.65 -44.97 88.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.116 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.49 ' HA ' ' HE3' ' A' ' 16' ' ' MET . 0.3 OUTLIER -62.45 -33.85 75.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.078 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -59.25 -48.54 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.638 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -70.83 -29.16 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.012 -177.72 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -67.52 -49.93 61.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.701 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -69.09 -35.69 76.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.408 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.8 m-20 -66.61 -25.92 66.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.9 -46.41 65.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.13 -47.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.082 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.408 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.1 pp0? -60.85 -30.02 69.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.78 0.324 . . . . 0.0 110.789 -178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.56 -49.27 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.343 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.02 71.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.603 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 t -72.25 -15.3 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -113.92 10.27 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -70.15 -50.96 35.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.404 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.52 3.72 77.59 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.189 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -98.4 -37.86 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.446 0.641 . . . . 0.0 109.842 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.83 160.26 20.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.493 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.7 p -79.11 166.3 22.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.9 -27.58 68.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.705 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -78.46 -51.29 10.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.642 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.2 -36.01 74.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.406 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.3 mtm -69.69 -27.81 65.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.098 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -82.1 -33.15 29.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 109.983 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.68 -33.94 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.196 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.502 ' SD ' HG23 ' A' ' 77' ' ' VAL . 88.0 mmm -54.19 -44.75 71.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.869 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.03 71.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.614 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.0 mtm -69.15 -38.8 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.226 -0.189 . . . . 0.0 111.204 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.554 ' O ' HG21 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -78.33 -29.94 47.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.067 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.48 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.86 -41.13 95.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.966 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 t -70.87 -30.91 67.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.688 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 43' ' ' MET . 90.8 t -59.21 -51.2 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.445 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.469 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 8.1 p30 -68.51 -34.19 75.44 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.507 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.527 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.1 m -60.74 -46.04 91.96 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 177.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -70.54 -34.94 72.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.798 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.79 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 6.6 tmm? -69.23 -39.9 78.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.602 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -71.6 -31.28 66.75 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.686 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 49' ' ' SER . 61.1 pttt -91.65 14.31 15.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.017 0.436 . . . . 0.0 111.001 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.498 ' HE3' ' HG3' ' A' ' 66' ' ' MET . 36.9 ttm -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.49 143.79 5.82 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.133 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.11 125.79 13.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.683 2.256 . . . . 0.0 111.298 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 50.63 69.73 2.43 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.44 134.95 29.94 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.524 2.149 . . . . 0.0 113.405 -170.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.9 152.47 77.08 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 0.0 111.078 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.56 -21.61 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -76.77 -14.61 59.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.018 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -89.04 -31.44 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.72 -47.46 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.542 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -43.31 61.84 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.456 -174.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . -87.23 14.68 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -177.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.498 ' HG3' ' HE3' ' A' ' 54' ' ' MET . 71.6 mmm -114.72 -43.11 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 177.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -44.58 96.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.002 0.429 . . . . 0.0 109.996 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.0 m -68.79 -31.82 71.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.819 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 65' ' ' ALA . . . -63.1 -52.49 62.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.585 -177.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.479 ' O ' HG23 ' A' ' 74' ' ' VAL . 59.7 ttp -62.64 -44.07 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 109.992 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.66 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.154 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.462 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.81 -27.07 40.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.134 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 70' ' ' MET . 99.6 t -69.67 -34.98 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -27.06 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.427 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.67 -45.68 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.467 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.502 HG23 ' SD ' ' A' ' 40' ' ' MET . 14.1 m -76.5 -28.79 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.634 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 74' ' ' VAL . 64.5 t -68.98 -27.29 34.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.323 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.0 -18.04 65.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -89.93 -2.28 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.383 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m -94.75 123.07 59.06 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.13 150.25 77.04 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.3 2.0 . . . . 0.0 111.749 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.65 -25.97 28.01 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.122 2.548 . . . . 0.0 113.199 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p -95.11 6.5 48.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.36 -42.81 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 51.3 m -75.58 4.72 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.745 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.31 -35.99 6.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 93' ' ' ILE . 99.7 t -71.86 -54.2 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.014 178.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.55 -37.99 79.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.558 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 87' ' ' SER . 6.2 t-20 -60.05 -46.02 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.284 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -61.95 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.937 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.2 mm -56.68 -54.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.77 95.89 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.454 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.51 75.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.797 0.332 . . . . 0.0 111.882 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.7 m -72.32 -40.08 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.299 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.0 -38.46 91.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.287 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -55.34 -52.4 63.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.729 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 100' ' ' SER . 2.3 pt-20 -71.2 -37.8 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.068 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.604 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 60.0 m -56.5 -33.8 66.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.374 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.5 mmm -60.19 -48.33 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 14.5 ptm -80.89 -26.33 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.358 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.88 -10.55 59.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 110.623 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.446 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -89.93 -61.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.336 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.7 t 174.07 -28.81 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.3 27.4 9.44 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.996 -169.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 81.4 p 48.37 -158.27 0.05 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.964 0.506 . . . . 0.0 111.353 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.4 t -111.62 104.26 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.171 0.51 . . . . 0.0 109.77 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.16 -175.24 5.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -137.44 21.23 2.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.136 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.67 -50.54 2.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.261 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -68.36 -51.38 44.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.601 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.7 p -55.02 -41.12 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.368 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -48.8 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.26 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.464 ' O ' HD12 ' A' ' 119' ' ' LEU . 26.5 tt0 -59.18 -47.75 84.14 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.5 -45.67 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.769 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.491 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 9.1 mmt -70.55 -9.5 56.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -98.22 -54.58 3.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 115' ' ' GLU . 10.0 mp -62.05 -42.28 99.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.977 -175.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.34 -26.94 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.267 0.556 . . . . 0.0 110.476 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -88.39 -50.1 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.258 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -69.6 -36.36 76.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.3 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.6 mt -82.09 -1.42 48.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.371 . . . . 0.0 110.695 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -112.75 -71.08 0.77 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . 173.73 112.99 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.678 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -108.58 64.1 0.61 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.791 0.805 . . . . 0.0 109.177 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.5 m -119.74 8.5 11.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.921 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.6 63.9 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.55 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -97.62 -28.72 13.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.565 0.697 . . . . 0.0 109.14 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -100.67 105.6 16.98 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.324 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 41.0 t -91.95 89.96 3.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.2 m -78.76 81.46 5.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.166 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.865 -0.588 . . . . 0.0 110.399 176.093 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t 70.76 -61.3 0.48 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.36 0.664 . . . . 0.0 111.223 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.8 39.56 3.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.353 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -96.76 153.65 17.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' HD22 ' A' ' 63' ' ' LEU . 48.6 m -85.16 -21.6 29.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.188 0.518 . . . . 0.0 110.058 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -121.16 102.13 43.74 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.523 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.27 -11.65 19.2 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.637 2.225 . . . . 0.0 113.05 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.5 tp -178.25 -30.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 0.0 110.334 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.525 ' CE3' ' HE3' ' A' ' 54' ' ' MET . 38.0 m95 -75.2 67.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.82 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -104.91 -30.97 9.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.518 0.675 . . . . 0.0 110.276 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -138.18 125.14 13.32 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.854 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.2 Cg_exo -46.2 -45.63 17.95 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.236 2.624 . . . . 0.0 112.912 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.52 -36.97 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.37 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -67.92 -45.32 74.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.586 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -65.58 -40.2 92.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.216 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -69.18 -21.5 63.97 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.414 177.293 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 94.9 m -60.99 -52.67 64.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.6 ptt? -65.18 -36.2 83.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.456 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -65.52 -44.84 85.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.622 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -67.91 -38.99 83.62 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.849 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.7 m-20 -62.77 -32.74 73.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.95 -44.55 89.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.209 0.528 . . . . 0.0 109.723 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.11 -47.49 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.954 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.9 pt20 -68.52 -24.85 64.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -75.09 -50.8 15.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.053 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.2 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 t -71.59 -12.82 61.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.068 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -124.25 19.63 8.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 p -74.44 -39.78 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.697 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.27 -16.45 59.75 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.25 -49.04 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.09 0.472 . . . . 0.0 110.472 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.44 153.2 40.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.312 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.506 ' O ' ' HG3' ' A' ' 37' ' ' MET . 4.5 t -90.14 164.84 14.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.54 64.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.64 -46.51 85.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.109 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' O ' ' HG2' ' A' ' 40' ' ' MET . 77.0 mt-30 -66.28 -36.22 82.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.659 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 33' ' ' THR . 55.6 mtt -64.42 -32.03 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.793 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.18 -42.11 56.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -34.61 74.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 92.7 mmm -61.94 -33.38 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.63 -44.25 82.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.258 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.2 -21.11 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.283 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -59.91 -46.22 90.06 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.33 82.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.657 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.3 -41.97 98.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.58 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.5 t -59.89 -50.15 74.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.019 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.45 -43.96 91.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.8 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -48.83 -53.03 20.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 t -62.06 -41.29 97.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.278 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 46' ' ' SER . 48.5 mt-30 -74.94 -33.29 61.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 0.0 110.95 -177.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 50.8 ttp -67.14 -26.5 66.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.76 -19.59 62.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.089 0.471 . . . . 0.0 110.607 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.497 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 10.3 mmpt? -90.45 -6.22 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.208 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.525 ' HE3' ' CE3' ' A' ' 9' ' ' TRP . 41.5 ttm -66.13 -67.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.652 -178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.77 151.22 13.54 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.185 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.36 145.9 67.03 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.938 2.425 . . . . 0.0 112.816 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 p30 37.99 69.77 1.39 Allowed Pre-proline 0 N--CA 1.47 0.559 0 O-C-N 124.392 1.057 . . . . 0.0 112.996 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -95.13 148.94 1.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.256 2.637 . . . . 0.0 113.02 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HD2' ' HG3' ' A' ' 62' ' ' ARG . 17.1 Cg_exo -63.26 160.7 33.68 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.82 2.347 . . . . 0.0 112.264 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -39.55 42.96 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -70.82 -19.41 62.67 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.452 ' HG3' ' HD2' ' A' ' 59' ' ' PRO . 25.6 mmm180 -73.37 -37.04 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 110.224 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 5' ' ' SER . 2.1 mm? -78.87 -25.9 43.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.469 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.51 10.38 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.278 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.49 -1.58 14.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.175 0.512 . . . . 0.0 110.199 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.465 ' HG3' ' HE2' ' A' ' 54' ' ' MET . 87.2 mmm -106.67 -23.03 12.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.814 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -52.1 -57.0 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.9 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.3 m -64.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -50.73 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.388 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.9 ttp -73.3 -43.54 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.151 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HA ' HG22 ' A' ' 120' ' ' VAL . . . -51.12 -48.35 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.118 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.97 -38.39 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.888 0.375 . . . . 0.0 110.573 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.03 -22.88 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.53 0.681 . . . . 0.0 109.885 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.0 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.463 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.13 -43.98 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.956 -175.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.0 m -71.65 -25.29 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 111.07 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.19 -28.57 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -23.25 66.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.063 0.458 . . . . 0.0 111.067 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -93.12 9.94 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.239 0.542 . . . . 0.0 110.893 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 m -94.41 125.26 52.68 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.72 147.7 69.94 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.696 2.264 . . . . 0.0 111.684 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.28 -42.28 27.46 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 123.418 2.745 . . . . 0.0 113.89 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -73.97 -36.89 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.846 0.355 . . . . 0.0 111.189 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.6 m -79.04 -18.2 53.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.556 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.35 -44.63 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.579 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.2 m -53.61 -39.12 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.76 -31.01 59.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 110.363 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.38 -11.49 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.922 0.868 . . . . 0.0 110.251 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -93.75 -57.29 2.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.421 174.463 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.86 -47.97 70.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.338 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -60.36 -51.12 70.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.671 0.272 . . . . 0.0 111.53 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.8 mm -58.76 -44.09 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.69 -43.34 94.48 Favored Glycine 0 C--N 1.329 0.143 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.683 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.2 75.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.61 -43.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.967 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.04 -42.47 97.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.887 0.375 . . . . 0.0 110.206 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -40.93 84.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 177.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -72.07 -58.72 3.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.5 p -51.74 -38.95 57.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.989 -173.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.7 ttt -60.91 -51.07 70.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.47 -177.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.8 ptm -79.07 -24.74 43.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.05 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.74 -11.91 61.22 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.112 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.69 -70.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.316 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.4 t 176.19 -36.71 0.01 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.692 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 30.32 3.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.211 -0.518 . . . . 0.0 113.338 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' A' ' 101' ' ' MET . 71.4 p 50.92 -166.7 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.196 0.599 . . . . 0.0 110.945 -176.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.62 107.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.495 0.664 . . . . 0.0 110.174 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.7 148.08 45.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.763 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -78.81 -25.21 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.799 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.87 -45.1 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.168 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -56.51 -43.41 79.71 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.328 0.393 . . . . 0.0 111.641 -176.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.0 p -55.76 -55.95 26.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.352 0.596 . . . . 0.0 110.396 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.66 -41.35 85.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.638 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -56.45 -59.2 5.32 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.914 0.886 . . . . 0.0 111.399 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.551 ' O ' HG21 ' A' ' 120' ' ' VAL . 12.1 p -68.36 -39.48 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 55.0 mmm -58.14 -52.26 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -63.25 -38.86 92.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 110.362 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.92 -43.31 98.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.752 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 116' ' ' VAL . 72.9 t -53.8 -44.91 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-O 121.085 0.469 . . . . 0.0 110.908 176.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.549 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 17.2 mmmt -73.6 -46.33 47.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.601 . . . . 0.0 110.677 -175.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.47 -27.83 69.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.737 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.8 mt -93.99 10.79 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.48 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.7 p -125.02 -60.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -154.58 107.41 2.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.476 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -106.99 72.52 0.89 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.362 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.2 m -153.17 -32.09 0.13 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.872 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.7 94.36 6.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.905 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -95.62 140.48 30.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.47 100.76 0.15 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 111.776 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.31 99.49 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-O 121.823 0.82 . . . . 0.0 110.486 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.6 m -110.16 84.52 1.94 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.272 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.244 176.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.195 -0.362 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -104.19 136.85 43.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.76 -2.42 11.51 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.678 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -109.25 164.93 12.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 p -74.47 73.85 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 111.58 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -137.69 98.5 9.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.975 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.41 -164.08 0.22 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.867 2.378 . . . . 0.0 112.136 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.7 tp -58.17 -19.55 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.357 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -83.89 33.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.307 -0.245 . . . . 0.0 110.646 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -61.46 -47.66 84.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.85 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.85 160.68 43.03 Favored Pre-proline 0 N--CA 1.442 -0.851 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.738 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 72.0 Cg_exo -47.67 -48.73 15.03 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.391 2.728 . . . . 0.0 113.728 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -62.07 -42.3 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.081 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.76 84.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 0.0 111.134 -174.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.49 -45.13 48.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.264 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.522 ' HA ' ' HE3' ' A' ' 16' ' ' MET . 0.8 OUTLIER -65.25 -32.33 73.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -177.569 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.2 m -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.407 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 0.0 OUTLIER -69.26 -33.67 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.17 -177.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.4 m -65.61 -45.99 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 0.0 110.758 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -72.44 -33.57 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.65 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.485 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.3 m-20 -64.95 -33.13 75.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.052 0.453 . . . . 0.0 110.424 176.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.2 tp -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.47 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.04 -49.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.876 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 3.2 pt20 -67.98 -31.29 70.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.925 0.393 . . . . 0.0 110.964 -175.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.38 -42.82 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.76 -29.51 51.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.588 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -67.95 -20.36 65.05 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.297 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -123.97 28.73 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 110.612 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -74.39 -38.13 63.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.007 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.61 8.41 67.82 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.7 t -111.59 -49.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.932 0.396 . . . . 0.0 110.448 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.51 145.24 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.2 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -79.35 172.08 14.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.71 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.506 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.8 -50.66 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.241 0.543 . . . . 0.0 109.766 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -60.59 -37.75 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.513 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.2 ptp -74.48 -17.76 60.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.411 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -79.55 -33.6 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.261 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 12.7 m-20 -60.72 -32.1 71.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.161 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.524 ' SD ' HG23 ' A' ' 77' ' ' VAL . 90.1 mmm -56.0 -45.11 79.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.658 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.69 57.18 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.707 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.407 ' HG2' ' HA ' ' A' ' 39' ' ' ASP . 23.6 ptp -67.04 -32.24 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -176.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.561 ' O ' HG21 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -74.84 -33.46 62.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.043 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -59.68 -41.54 90.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.4 ' HA ' HD22 ' A' ' 48' ' ' ASN . 29.0 t70 -60.44 -44.78 95.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 110.336 176.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -59.52 -39.64 84.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.223 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.561 HG21 ' O ' ' A' ' 43' ' ' MET . 96.3 t -60.51 -53.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.757 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.493 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 12.0 p30 -68.96 -28.05 66.29 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.141 -0.623 . . . . 0.0 111.404 -177.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -61.36 -38.33 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 0.0 109.762 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 41.7 mt-30 -82.52 -23.79 34.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.886 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.738 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.0 tmm? -80.94 -30.26 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 111.242 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 49.6 mt-30 -74.84 -20.54 59.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.358 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -88.75 -9.02 53.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.17 174.661 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.448 ' HE3' ' HG3' ' A' ' 66' ' ' MET . 33.2 ttm -72.07 -49.85 33.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.267 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.06 132.3 7.6 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.308 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.09 133.71 59.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.611 2.207 . . . . 0.0 111.671 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 60.13 69.15 1.25 Allowed Pre-proline 0 C--O 1.234 0.259 0 O-C-N 124.009 0.818 . . . . 0.0 109.355 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -84.44 156.45 12.46 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.826 2.35 . . . . 0.0 113.873 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.55 145.79 59.49 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.738 2.292 . . . . 0.0 111.553 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.97 -44.98 10.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.779 0.831 . . . . 0.0 113.089 -171.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -65.32 -19.0 65.76 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -79.14 -26.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.182 -0.324 . . . . 0.0 111.418 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.77 -36.72 73.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.861 0.362 . . . . 0.0 110.764 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -61.59 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.455 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.95 -23.09 63.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.343 -172.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.448 ' HG3' ' HE3' ' A' ' 54' ' ' MET . 63.3 mmm -85.12 -32.34 22.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.792 0.33 . . . . 0.0 111.283 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -35.83 80.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.101 0.477 . . . . 0.0 109.85 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.544 HG22 ' CD2' ' A' ' 119' ' ' LEU . 77.3 m -74.51 -35.5 63.19 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.534 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.59 85.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -65.44 -43.46 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 110.135 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.04 69.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.597 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.47 67.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.582 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.73 -26.7 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.028 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 77' ' ' VAL . 57.5 t -72.86 -27.43 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.238 0.542 . . . . 0.0 110.069 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.99 67.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.394 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.19 -30.53 71.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.932 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -82.24 -22.1 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.5 -178.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.0 -32.01 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.8 -18.67 65.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.317 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -89.11 9.1 26.68 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.213 0.53 . . . . 0.0 111.172 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m -98.09 131.65 26.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.89 134.75 30.67 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.218 1.945 . . . . 0.0 111.449 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -42.69 -42.64 8.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.856 3.038 . . . . 0.0 114.353 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -62.48 -23.43 66.91 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -119.59 3.01 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -59.02 -44.2 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -56.29 -37.43 69.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.384 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.47 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.76 -42.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.621 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.23 -39.66 93.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.054 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -56.91 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.874 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -62.75 -53.33 55.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.772 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 mm -57.13 -48.55 81.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.246 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.43 -41.57 99.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.663 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -65.82 -52.14 53.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.41 -37.28 77.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.87 -41.31 83.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 111.31 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.431 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.9 ttm180 -64.04 -44.94 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.594 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 33.9 mm-40 -65.62 -56.15 13.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.424 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 34.9 p -53.9 -32.58 53.91 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.275 -174.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.28 -51.37 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.348 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.67 -18.25 31.76 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.775 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.466 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -67.11 -26.36 66.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.339 172.712 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.515 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -72.9 -70.53 0.35 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.726 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.515 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.5 t 167.4 -19.68 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 -176.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.72 7.61 81.51 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.055 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.4 m 62.65 173.61 0.14 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.282 0.563 . . . . 0.0 111.066 -175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -99.16 104.89 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 122.101 0.953 . . . . 0.0 109.667 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.07 168.58 15.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.626 -1.624 . . . . 0.0 112.093 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.21 -18.77 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.204 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.33 -52.31 3.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.329 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.27 -53.9 53.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.054 0.454 . . . . 0.0 110.769 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -17.86 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.067 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -89.52 -47.14 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.727 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.16 -53.7 41.04 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.67 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 120' ' ' VAL . 74.9 t -54.96 -46.26 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.447 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -59.13 -44.8 92.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.873 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.9 -48.06 82.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.444 . . . . 0.0 110.458 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.544 ' CD2' HG22 ' A' ' 68' ' ' THR . 8.5 mp -65.37 -42.91 92.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.84 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.0 t -53.51 -43.5 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.968 0.414 . . . . 0.0 110.5 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 117' ' ' MET . 35.4 mtpt -65.36 -50.82 64.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.684 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -76.79 -24.83 52.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.289 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.5 mt -89.44 2.2 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.238 -0.289 . . . . 0.0 111.118 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.0 p -117.78 -67.27 1.0 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -156.93 110.1 2.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.137 -176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -93.28 6.11 49.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.109 0.957 . . . . 0.0 109.517 177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -87.96 29.28 0.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.383 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.21 11.3 10.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.362 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -63.69 135.87 57.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.135 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.5 mp0 -45.23 108.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.825 0.703 . . . . 0.0 111.64 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.3 p -92.72 113.79 28.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.513 0.673 . . . . 0.0 110.252 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.2 m -81.41 76.75 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.203 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.244 0.79 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.765 175.592 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -76.3 115.21 15.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.836 0.35 . . . . 0.0 110.604 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.14 124.72 26.03 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.025 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 t30 72.79 -69.14 0.2 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.355 0.662 . . . . 0.0 112.159 174.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -80.65 127.17 32.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.0 0.429 . . . . 0.0 111.545 -174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 67.71 85.23 0.15 Allowed Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.99 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -91.58 -159.53 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.646 2.897 . . . . 0.0 112.053 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 tt -77.89 -6.53 9.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.897 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -78.49 16.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.128 -0.358 . . . . 0.0 111.471 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.54 -22.88 40.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -132.65 114.67 14.39 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.146 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.796 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 87.9 Cg_exo -47.2 -45.15 22.58 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.5 2.8 . . . . 0.0 113.584 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.54 -40.73 96.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.491 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.61 74.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.694 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.36 82.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.544 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.705 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -62.09 -28.51 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -60.62 -50.28 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -29.47 63.49 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.389 -176.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -66.61 -44.35 82.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 110.598 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -69.47 -42.47 74.82 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.33 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.1 m-20 -61.42 -33.7 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.834 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.75 -47.63 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 0.0 110.209 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.61 -44.96 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.998 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 2.6 pt20 -66.67 -34.84 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 110.382 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.95 -41.25 82.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 109.974 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.84 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.467 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.411 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.9 m -76.24 -30.09 57.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.148 0.499 . . . . 0.0 110.892 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -98.8 15.86 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.002 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -73.31 -50.35 22.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.29 -3.09 79.39 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -99.9 -38.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.405 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.52 163.17 27.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.044 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.498 ' O ' ' HG3' ' A' ' 37' ' ' MET . 80.3 p -93.98 166.62 12.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.655 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.85 73.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.01 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.78 -48.07 70.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -64.2 -37.18 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.671 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.498 ' HG3' ' O ' ' A' ' 33' ' ' THR . 30.2 mtt -69.25 -38.5 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.841 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.741 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.961 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 37' ' ' MET . 74.6 mmm -58.81 -41.55 87.03 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.263 0.554 . . . . 0.0 110.177 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.76 -42.38 95.24 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.875 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.24 -31.85 72.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.984 0.421 . . . . 0.0 110.513 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 47' ' ' VAL . 14.4 tmm? -60.48 -56.59 19.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.973 174.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.63 76.15 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.58 -48.51 63.15 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.84 0.713 . . . . 0.0 111.167 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 34.6 t -72.99 -33.82 66.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 43' ' ' MET . 87.0 t -56.73 -51.13 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.735 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.705 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 7.5 p30 -66.04 -32.19 73.51 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.267 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -60.9 -54.18 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 46' ' ' SER . 13.0 pt20 -73.63 -32.93 64.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.796 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 15.3 tmm? -72.47 -39.97 67.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -72.29 -36.72 69.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.529 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -81.78 11.15 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.736 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 19.1 ttp -76.69 -21.31 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 109.908 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.93 151.24 21.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.476 171.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.61 131.36 22.72 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.786 2.324 . . . . 0.0 111.034 174.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 59.39 75.53 0.5 Allowed Pre-proline 0 N--CA 1.464 0.24 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.87 139.17 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.786 2.324 . . . . 0.0 113.127 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -66.71 137.84 47.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.253 1.969 . . . . 0.0 110.384 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -59.01 -31.42 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -169.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -62.31 -29.81 70.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.148 0.431 . . . . 0.0 111.089 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.736 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 17.0 mmt180 -69.48 -31.74 70.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.197 0.522 . . . . 0.0 110.398 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.9 -1.11 13.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.045 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -96.53 -53.73 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.839 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.31 -28.18 66.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.249 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 94.6 mmm -61.56 -33.06 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.09 -49.27 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 m -61.63 -41.29 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.595 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.58 -52.21 65.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.474 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.471 ' O ' HG22 ' A' ' 74' ' ' VAL . 58.0 ttp -67.4 -44.24 79.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.157 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.25 86.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.645 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.72 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.577 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.33 -38.06 31.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 70' ' ' MET . 48.6 t -66.44 -26.93 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.333 0.587 . . . . 0.0 109.906 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -24.77 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.535 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.15 -48.5 78.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 74' ' ' VAL . 26.6 m -70.27 -26.57 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.388 . . . . 0.0 111.24 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.34 -30.77 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.912 0.387 . . . . 0.0 110.71 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -15.66 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.614 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -85.87 5.17 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.799 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -99.76 130.03 27.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.513 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.58 162.5 41.16 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.425 2.083 . . . . 0.0 111.404 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.6 12.09 0.26 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.163 2.576 . . . . 0.0 113.704 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -105.05 -61.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.061 0.457 . . . . 0.0 110.351 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 p -84.21 0.99 46.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.506 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.63 -42.3 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.577 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 15.1 m -69.51 -6.87 33.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.071 -178.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.89 -33.58 8.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 93' ' ' ILE . 61.5 t -75.56 -55.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.155 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.98 -39.39 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.841 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.577 ' HB2' ' O ' ' A' ' 87' ' ' SER . 7.0 t-20 -52.99 -48.28 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.321 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 m -62.8 -45.26 93.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.83 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -56.51 -50.88 71.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.75 -44.52 97.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.46 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.43 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.18 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.107 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.05 -45.25 95.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 99.2 mtt180 -58.96 -50.5 73.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.85 -55.06 39.21 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.794 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.6 m -49.98 -40.61 44.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.064 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 56.5 mmm -60.12 -51.89 67.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.759 0.314 . . . . 0.0 111.731 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.3 ptm -77.56 -24.63 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.365 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -76.91 -19.29 57.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.581 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.472 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -75.05 -63.81 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 8.9 t 168.97 -24.72 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.726 0.641 . . . . 0.0 111.139 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.56 20.64 13.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.924 -172.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.5 p 51.85 -165.91 0.05 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.247 0.619 . . . . 0.0 111.237 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.27 97.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.07 161.72 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.292 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -91.02 -28.82 17.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.79 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.152 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -58.53 -55.77 30.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 110.581 -177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -18.05 60.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.736 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.25 -48.88 5.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.41 -43.1 91.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 122.867 0.467 . . . . 0.0 111.368 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.463 ' O ' HG21 ' A' ' 120' ' ' VAL . 74.5 t -59.29 -44.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.681 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -45.86 90.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.558 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 118' ' ' GLN . 6.5 tp60 -61.78 -45.42 93.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.88 -48.81 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.424 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 116' ' ' VAL . 69.7 t -56.16 -39.75 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.163 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -75.2 -48.64 22.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.918 0.39 . . . . 0.0 111.211 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -69.31 -34.9 75.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.629 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.38 -4.04 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.947 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.4 t -103.43 -65.34 1.01 Allowed 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 121.203 0.525 . . . . 0.0 109.715 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -169.26 105.77 0.39 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.386 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -93.55 -7.93 42.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.069 0.938 . . . . 0.0 109.599 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.1 m -93.61 -9.99 36.16 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.204 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.95 76.64 8.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.408 0.623 . . . . 0.0 110.195 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -94.17 141.78 28.16 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.424 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -47.85 108.64 0.17 Allowed 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.715 0.634 . . . . 0.0 110.236 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.0 p -76.7 127.96 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 121.766 0.793 . . . . 0.0 111.127 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.1 p -107.17 77.21 1.14 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.163 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.201 177.147 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.88 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -146.44 126.89 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.737 0.303 . . . . 0.0 110.195 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.69 150.9 5.86 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.002 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -114.39 35.82 4.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.105 0.479 . . . . 0.0 109.985 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t 69.01 12.82 8.71 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.623 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.636 ' HB3' ' OG1' ' A' ' 10' ' ' THR . 65.3 mm-40 -123.08 101.39 38.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.792 0.33 . . . . 0.0 111.578 -176.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.408 ' O ' HG21 ' A' ' 8' ' ' ILE . 98.8 Cg_endo -93.63 87.07 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.53 2.82 . . . . 0.0 114.048 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.414 ' C ' ' H ' ' A' ' 10' ' ' THR . 18.3 tt 62.42 -32.48 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 126.254 1.822 . . . . 0.0 115.727 167.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.11 15.58 1.48 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.636 ' OG1' ' HB3' ' A' ' 6' ' ' GLN . 6.3 m -71.34 -32.48 68.6 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.287 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -139.41 140.64 26.27 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.065 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.644 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.3 Cg_endo -53.58 -46.94 30.06 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.719 2.946 . . . . 0.0 113.798 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -62.93 -37.22 86.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.019 -175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.64 55.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.161 0.505 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -45.44 68.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.949 -176.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.519 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -61.54 -34.44 75.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.3 m -58.92 -54.15 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -28.72 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.145 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.462 ' HB ' ' HE3' ' A' ' 16' ' ' MET . 86.7 m -69.18 -46.75 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.73 -32.38 65.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.651 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.513 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.3 m-20 -66.24 -31.62 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 110.338 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.06 -45.91 89.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.651 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.5 -48.08 90.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.513 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 12.0 pt20 -65.93 -31.56 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.722 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 t -75.53 -46.95 29.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.43 46.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 0.0 112.025 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -71.46 -17.9 62.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.391 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -112.94 23.1 13.76 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.564 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -80.72 -34.17 34.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.681 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.23 75.84 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -97.35 -41.48 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 111.207 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -72.25 164.67 25.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.341 0.591 . . . . 0.0 111.43 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.459 ' O ' ' HG3' ' A' ' 37' ' ' MET . 18.4 p -90.21 168.88 11.59 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.212 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -30.93 69.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.612 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -56.03 6.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.211 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 40' ' ' MET . 93.2 mt-30 -55.65 -43.33 76.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.663 -177.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 33' ' ' THR . 74.8 mtm -62.43 -41.87 99.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.459 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.56 -35.72 39.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.853 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.1 m-20 -67.43 -25.4 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 69.5 mmm -62.47 -33.76 75.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.109 0.48 . . . . 0.0 110.283 172.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.36 84.93 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.132 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.9 ptp -70.6 -21.95 62.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.894 0.378 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.3 tmm? -65.18 -52.23 56.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.83 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.218 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.93 -42.93 90.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.39 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 31.4 t -66.87 -39.99 87.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.752 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 43' ' ' MET . 63.9 t -57.2 -51.5 68.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.685 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.519 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 11.1 p30 -70.51 -26.61 63.66 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.085 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.8 t -60.26 -50.49 73.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 46' ' ' SER . 55.7 mt-30 -71.02 -47.27 59.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.959 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.644 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.3 tmm? -60.6 -42.59 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.496 -176.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.16 -17.18 61.4 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.362 -177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 49' ' ' SER . 65.1 mttm -89.28 -21.09 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.843 0.354 . . . . 0.0 110.155 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 40.1 ttp -65.6 -45.83 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.703 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 114.87 168.3 15.75 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.129 174.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.9 134.73 8.48 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.132 2.555 . . . . 0.0 112.503 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.483 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 47.2 m-80 53.55 63.39 8.12 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.498 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 1.9 Cg_endo -86.44 170.77 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.124 2.549 . . . . 0.0 112.072 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.486 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 Cg_exo -62.83 139.76 76.24 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.569 2.179 . . . . 0.0 112.166 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.16 -37.04 76.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -66.74 -20.33 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.587 0.232 . . . . 0.0 111.183 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -83.81 -38.78 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 109.843 175.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 59' ' ' PRO . 16.1 mt -67.83 -39.18 83.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.702 0.763 . . . . 0.0 109.802 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -78.44 3.91 14.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.243 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.67 -9.39 12.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.544 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mmm -74.16 -23.33 59.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 109.868 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -60.07 -29.21 68.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.404 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 119' ' ' LEU . 25.9 m -75.75 -40.89 54.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.31 76.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.425 ' O ' HG22 ' A' ' 74' ' ' VAL . 27.2 ptm -69.31 -43.0 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.752 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.734 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.47 98.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 111.0 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.94 -35.27 79.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 70' ' ' MET . 63.5 t -74.25 -38.15 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.05 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -53.65 -57.02 12.28 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.308 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -31.19 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.932 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.73 -37.65 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.45 -7.54 38.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.459 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.6 m -94.52 6.98 47.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.514 0.673 . . . . 0.0 110.278 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -96.67 126.47 43.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -57.52 150.41 60.46 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.501 2.134 . . . . 0.0 111.42 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -43.6 -49.56 7.73 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.554 2.836 . . . . 0.0 114.064 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -67.12 -41.85 85.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.39 . . . . 0.0 111.468 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.83 -21.94 46.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -54.92 -45.45 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.355 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -57.54 -40.65 79.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.11 76.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.317 0.579 . . . . 0.0 110.448 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.1 t -69.24 -50.08 55.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.481 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -44.47 96.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.024 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.17 -41.25 87.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.75 0.31 . . . . 0.0 110.648 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -62.05 -49.74 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.653 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 89' ' ' VAL . 50.8 mm -56.75 -49.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -63.32 -42.14 99.29 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.187 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 79.8 m -66.66 -41.45 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.687 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 97' ' ' LEU . 1.6 tm? -56.73 -39.52 74.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -178.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 83.1 mtt-85 -60.64 -58.63 7.64 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 111.164 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -65.07 -38.78 91.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.368 -176.318 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.5 m -57.66 -43.11 84.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 37.2 mmm -60.58 -43.31 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.54 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.469 ' HA ' ' HA ' ' A' ' 107' ' ' SER . 3.0 ppp? -82.94 -24.48 33.0 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.48 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -78.31 -3.58 43.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.12 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.47 -83.64 0.1 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.611 ' O ' HG22 ' A' ' 105' ' ' THR . 6.0 t 166.47 93.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 122.592 1.187 . . . . 0.0 108.831 -173.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 142.77 -11.84 2.4 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 102' ' ' MET . 25.3 p 75.37 165.61 0.27 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.852 -1.174 . . . . 0.0 111.022 174.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -76.69 93.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.936 0.874 . . . . 0.0 111.22 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.18 148.46 44.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.165 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -89.04 -17.66 28.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.879 -173.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.34 -49.86 5.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 0.0 110.932 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.73 -47.82 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.14 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.2 p -59.93 -48.61 81.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -57.0 -45.71 82.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.246 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -62.77 -53.12 59.25 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.715 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.408 ' O ' HG21 ' A' ' 120' ' ' VAL . 4.7 p -65.5 -36.04 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.526 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.463 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 3.1 mmt -60.08 -52.56 64.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.39 174.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -55.03 -47.74 74.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.669 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 68' ' ' THR . 13.1 mt -66.65 -47.23 73.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.232 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 116' ' ' VAL . 55.8 t -56.16 -44.65 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.119 0.485 . . . . 0.0 110.688 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.29 -45.68 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.668 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -85.64 -0.65 55.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 p -113.47 -52.56 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.461 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -168.66 132.38 1.48 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.732 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -70.35 -7.09 40.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.574 0.702 . . . . 0.0 110.758 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.6 m -70.61 -5.43 29.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.309 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.89 34.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.999 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -61.6 -26.44 67.98 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.55 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.81 133.88 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.117 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 5.5 p -127.14 84.2 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.434 1.111 . . . . 0.0 110.025 176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.5 t -126.56 24.03 6.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.809 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 36.3 p . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.983 -175.51 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 p -83.22 146.5 28.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.8 0.333 . . . . 0.0 110.274 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.77 -134.42 11.3 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -173.19 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.762 0.281 . . . . 0.0 110.627 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -134.18 12.79 3.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.447 0.641 . . . . 0.0 109.993 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -127.52 103.33 22.34 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.913 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -78.97 -170.14 0.94 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.952 2.435 . . . . 0.0 113.417 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.9 tp -64.74 -25.2 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.348 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.61 18.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 p -89.4 -4.6 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 0.0 110.469 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -143.69 115.19 5.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.898 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.19 -53.4 7.19 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.274 2.65 . . . . 0.0 113.378 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.76 -38.7 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.653 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.677 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.38 86.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.178 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.558 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -63.91 -30.75 71.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.318 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -59.05 -52.46 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.31 69.81 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.26 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -64.03 -45.95 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.445 . . . . 0.0 110.418 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -68.19 -34.99 77.31 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 74.7 m-20 -62.92 -36.03 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.709 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.42 -50.39 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.845 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.541 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 1.5 pp0? -67.16 -37.99 84.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.883 -176.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -66.2 -43.6 86.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.271 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.362 . . . . 0.0 110.943 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -76.15 -27.41 57.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.086 0.469 . . . . 0.0 110.356 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.459 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 4.8 mmp_? -102.41 11.48 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -70.51 -62.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.899 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.71 34.19 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.04 -30.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.651 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 56.1 mt -84.53 178.51 7.69 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.717 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.434 ' O ' ' HG3' ' A' ' 37' ' ' MET . 8.9 t -112.73 163.8 14.14 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 0.0 110.498 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.5 -46.07 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.739 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.011 -177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.4 mtt -68.92 -26.28 65.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.99 -39.78 69.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.143 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 42' ' ' MET . 27.9 m-20 -65.11 -28.57 69.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.04 -30.95 69.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.606 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 -49.36 55.85 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.677 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.5 ptp -67.81 -27.09 66.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.9 0.381 . . . . 0.0 110.547 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 47' ' ' VAL . 14.9 tmm? -64.17 -52.28 59.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.21 78.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.017 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -54.02 -47.8 71.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.92 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -69.62 -32.17 70.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.146 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 43' ' ' MET . 84.5 t -62.91 -49.97 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.798 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.558 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 6.4 p30 -64.57 -38.56 91.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.5 t -57.54 -43.51 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 110.473 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.44 -26.06 60.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.204 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -77.53 -38.35 48.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 65.8 mt-30 -65.63 -36.17 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.726 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.54 19.77 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.142 0.496 . . . . 0.0 110.896 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.484 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 53.5 ttm -78.62 -38.5 39.68 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.49 148.71 17.48 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.036 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.18 130.78 23.48 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.771 2.314 . . . . 0.0 111.5 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 53.01 68.53 2.93 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-O 121.441 0.638 . . . . 0.0 109.282 -172.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 73.9 Cg_endo -71.5 149.87 56.71 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.257 2.638 . . . . 0.0 114.243 -166.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -70.83 152.71 63.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.02 2.48 . . . . 0.0 112.32 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -48.45 -56.49 8.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.685 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -59.81 -23.4 63.29 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 66' ' ' MET . 14.8 mmm180 -71.87 -31.98 67.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.086 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 HD13 ' HG2' ' A' ' 58' ' ' PRO . 7.0 mp -83.73 -38.28 21.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.405 0.622 . . . . 0.0 109.981 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -68.52 -17.5 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.39 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.73 -10.85 28.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 88.9 mmm -80.43 -24.83 39.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 111.265 -174.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -67.55 -24.76 65.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.6 m -89.3 -37.49 14.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.156 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.37 57.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.476 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.67 -43.32 80.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.14 0.495 . . . . 0.0 110.626 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.9 80.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.64 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.23 -24.96 20.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.786 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.424 ' CG1' HG21 ' A' ' 120' ' ' VAL . 2.7 p -76.48 -20.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 124' ' ' SER . . . -64.17 -20.58 66.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.477 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.621 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.16 -30.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.1 t -74.71 -41.35 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.78 -20.28 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.348 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -100.06 9.79 42.3 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.47 0.653 . . . . 0.0 110.514 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.0 m -91.54 134.18 29.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.324 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.69 131.58 46.65 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.601 2.201 . . . . 0.0 111.617 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.03 -36.32 11.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.733 2.955 . . . . 0.0 114.114 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.36 -35.01 79.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.81 0.338 . . . . 0.0 111.522 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.0 m -99.16 -5.7 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.723 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -54.7 -48.31 72.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.477 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -38.55 85.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.6 78.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.187 0.517 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 93' ' ' ILE . 77.0 t -65.26 -46.44 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.681 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.414 HD21 ' HA ' ' A' ' 90' ' ' LEU . 8.9 mt -59.72 -44.28 93.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.52 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -59.5 -41.2 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.035 0.445 . . . . 0.0 110.657 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.9 m -66.18 -51.12 60.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.067 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.0 mm -52.84 -47.38 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.686 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.7 -46.71 93.57 Favored Glycine 0 C--N 1.33 0.226 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.875 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.99 -47.17 86.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.943 0.402 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.5 m -62.63 -44.69 95.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.32 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.423 HD12 HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -62.71 -40.96 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.128 0.489 . . . . 0.0 109.985 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -51.05 71.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.852 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.17 -39.41 49.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.037 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.7 p -55.77 -39.53 71.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.53 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mmm -53.05 -51.78 60.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.8 ptm -79.96 -25.8 40.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.052 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.73 -22.58 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.018 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.549 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -73.69 -67.14 0.62 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.659 175.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.549 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 160.41 -14.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.877 0.736 . . . . 0.0 110.793 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.38 12.75 63.9 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.911 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 m 63.12 176.42 0.15 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.123 0.487 . . . . 0.0 111.473 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.65 108.45 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.176 0.988 . . . . 0.0 110.67 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -75.89 174.13 10.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.097 -1.411 . . . . 0.0 110.545 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -124.36 6.94 8.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.694 0.283 . . . . 0.0 110.946 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.68 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -109.12 -58.64 2.0 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.032 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -58.31 -49.04 78.59 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.262 0.553 . . . . 0.0 110.394 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.423 HG23 HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -60.13 -29.15 68.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.612 178.166 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.423 ' HB3' ' O ' ' A' ' 111' ' ' ALA . 5.9 t30 -77.1 -44.6 29.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.577 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.68 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 35.5 mm-40 -51.91 -53.08 44.99 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.92 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 120' ' ' VAL . 80.4 t -56.94 -48.94 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.664 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 53.4 mmm -76.36 13.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -119.91 -43.3 2.56 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 167.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.9 mt -64.27 -41.7 96.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 116' ' ' VAL . 87.1 t -57.92 -35.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.713 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -72.86 -47.44 46.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.507 0.67 . . . . 0.0 110.745 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.8 ttp -71.92 -31.83 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.242 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -90.97 10.52 26.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.629 0.252 . . . . 0.0 111.443 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 24.9 p -121.42 -67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . 179.7 97.93 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.647 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -88.83 65.18 7.55 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.688 0.756 . . . . 0.0 109.438 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.4 m -121.79 -2.36 9.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.919 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.95 6.62 25.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.839 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -67.68 -38.4 83.67 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -101.96 100.11 10.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.686 169.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.31 100.13 3.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.739 0.78 . . . . 0.0 110.825 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 t -139.91 87.99 2.2 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.285 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.875 174.349 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.552 ' HB2' ' O ' ' A' ' 5' ' ' SER . 16.1 m 59.46 27.34 16.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.908 0.483 . . . . 0.0 111.764 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.76 34.28 16.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.767 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 66.03 25.76 10.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.584 0.706 . . . . 0.0 110.197 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 2' ' ' SER . 17.5 p -158.62 169.02 25.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.797 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 59.84 86.01 0.17 Allowed Pre-proline 0 N--CA 1.453 -0.319 0 O-C-N 123.732 0.645 . . . . 0.0 111.261 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.22 -165.0 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.246 2.631 . . . . 0.0 112.612 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.7 tt -69.5 -7.47 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.548 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -82.7 57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.354 0.597 . . . . 0.0 109.844 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 -45.9 4.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.799 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -138.69 137.61 20.32 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.443 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.61 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 80.6 Cg_exo -42.07 -54.43 2.98 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 124.155 3.237 . . . . 0.0 114.109 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.29 -45.44 65.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.664 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.86 41.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.467 -172.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.4 87.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.938 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.647 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -65.06 -29.27 70.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.256 -178.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -58.81 -53.29 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.3 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -34.84 76.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.25 -176.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.407 ' HB ' ' HE3' ' A' ' 16' ' ' MET . 57.4 m -63.33 -47.56 81.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.157 0.503 . . . . 0.0 110.835 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -69.35 -32.05 70.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.261 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 87.5 m-20 -66.89 -26.92 67.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 110.779 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.01 -41.32 86.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.97 -48.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.987 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.0 pp0? -64.76 -26.47 68.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.8 t -81.8 -47.22 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.817 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 1.09 38.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -100.48 -19.55 16.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.161 0.982 . . . . 0.0 108.947 176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.77 -14.58 15.49 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.943 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.0 p -61.55 -41.29 97.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.147 177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.06 6.91 81.34 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.964 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 HD11 ' A' ' 32' ' ' LEU . 2.8 p -96.89 -19.17 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.974 0.416 . . . . 0.0 110.531 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 31' ' ' VAL . 10.7 mp -86.81 165.85 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.757 175.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -88.82 168.7 12.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.662 0.268 . . . . 0.0 110.515 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.09 70.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 0.0 109.924 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.35 -55.21 9.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.723 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 40' ' ' MET . 73.8 mt-30 -56.33 -43.54 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.219 -174.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.6 ptp -68.44 -22.85 64.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.33 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -80.96 -39.86 25.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -34.26 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.394 176.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 93.2 mmm -58.5 -34.02 70.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.94 -52.21 39.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.214 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -67.38 -27.22 66.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.59 ' SD ' HG13 ' A' ' 74' ' ' VAL . 34.1 ttp -63.17 -47.79 81.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.386 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.28 88.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.838 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.31 -47.1 82.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.564 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t -56.88 -38.69 73.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -67.21 -52.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.528 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.647 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 10.7 p30 -69.08 -32.92 72.71 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.71 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.58 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 24.3 t -62.39 -48.36 80.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.092 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.57 -31.42 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.797 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.9 tmm? -74.49 -28.93 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 78.0 mt-30 -68.52 -40.28 80.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 110.264 175.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HD3' ' O ' ' A' ' 49' ' ' SER . 13.3 mptt -76.01 -8.95 58.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.739 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.53 ' HB3' ' O ' ' A' ' 51' ' ' MET . 31.4 ttm -73.35 -52.59 13.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.656 173.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.38 145.41 18.14 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.504 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.4 127.15 18.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.66 2.24 . . . . 0.0 111.371 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 60.75 70.56 0.94 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.28 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 61.0 Cg_endo -95.68 174.29 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.605 2.87 . . . . 0.0 113.083 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.84 142.17 68.31 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.233 1.955 . . . . 0.0 111.578 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -52.75 -36.09 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.631 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -66.3 -24.24 66.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.528 ' O ' ' HG2' ' A' ' 66' ' ' MET . 8.2 mmt180 -70.64 -33.11 70.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.995 0.426 . . . . 0.0 110.211 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.408 ' CD1' ' HG2' ' A' ' 58' ' ' PRO . 6.0 mp -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.235 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.9 ttt85 -79.61 -11.61 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.109 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.36 -10.11 45.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.965 0.412 . . . . 0.0 111.333 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.0 mmm -89.45 -30.87 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.4 -44.34 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.854 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 m -63.03 -47.54 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.838 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -63.29 -47.95 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.759 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -68.62 -41.85 78.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.0 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.137 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.55 49.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.1 mm-40 -76.41 -45.55 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.499 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.59 HG13 ' SD ' ' A' ' 43' ' ' MET . 32.9 m -67.75 -24.64 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.326 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.47 -28.49 69.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.721 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -45.2 91.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.674 -176.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 74' ' ' VAL . 34.2 m -72.87 -34.44 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.798 0.332 . . . . 0.0 111.037 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.68 -39.11 75.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.589 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.34 -6.33 34.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.418 . . . . 0.0 111.46 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -91.57 -7.08 51.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.366 0.603 . . . . 0.0 110.133 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.2 m -94.91 130.8 31.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.644 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.5 157.5 46.01 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.76 2.306 . . . . 0.0 111.468 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -44.15 -49.01 9.02 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.362 2.708 . . . . 0.0 114.387 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.07 -36.56 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 m -90.38 -14.17 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.176 0.512 . . . . 0.0 110.467 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.4 -56.56 20.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.582 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -65.91 -27.58 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.324 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.93 82.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.237 0.541 . . . . 0.0 109.834 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 93' ' ' ILE . 92.0 t -72.06 -40.7 67.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.982 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.7 -52.55 63.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.653 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -57.17 -40.64 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.588 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.3 m -62.25 -41.92 98.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.788 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 49.2 mm -58.35 -49.68 81.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.26 -36.13 84.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.635 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.87 -45.92 73.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.701 0.286 . . . . 0.0 110.885 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.87 7.0 22.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.309 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -111.0 -21.42 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 176.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' HG21 ' A' ' 108' ' ' VAL . 38.2 ptt180 -79.86 -48.69 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.479 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -38.75 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.383 . . . . 0.0 111.431 -176.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.6 p -56.93 -32.63 66.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.49 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 107' ' ' SER . 58.1 mmm -62.39 -46.79 87.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.529 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.6 ptp -76.37 -30.94 57.77 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.22 -13.5 62.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 175.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.96 -64.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.036 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.4 t -179.88 -49.9 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 34.16 2.85 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.028 -0.606 . . . . 0.0 114.408 -167.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 101' ' ' MET . 21.9 m 54.6 -164.41 0.11 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 111.321 178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 98' ' ' ARG . 32.7 t -94.91 89.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.41 133.47 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.118 -174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -74.1 -21.36 59.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.996 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.06 -47.06 5.65 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.312 -0.155 . . . . 0.0 110.805 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.2 -61.62 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.312 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.0 p -58.61 -37.96 76.98 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.095 0.474 . . . . 0.0 110.853 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.52 -50.53 64.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.577 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.28 -43.51 81.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.768 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.57 ' O ' HG21 ' A' ' 120' ' ' VAL . 79.6 t -59.12 -48.38 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.274 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 3.8 mmt -53.96 -49.5 68.61 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -57.1 -50.04 74.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.659 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.26 -48.82 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.92 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 116' ' ' VAL . 95.3 t -55.72 -55.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.7 0.286 . . . . 0.0 110.669 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.45 -37.75 73.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.207 0.527 . . . . 0.0 111.364 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 44.6 ttp -76.37 -46.49 27.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.936 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.34 -8.05 55.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.365 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.6 m -102.39 -5.59 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.096 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -98.24 88.53 4.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.573 0.702 . . . . 0.0 110.167 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 127' ' ' SER . 23.6 t70 -158.01 102.27 1.8 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.397 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 126' ' ' ASP . 54.1 m 69.83 5.57 5.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.178 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.87 92.74 7.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -158.39 -38.63 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.029 0.442 . . . . 0.0 111.358 -173.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -86.3 155.87 20.48 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.184 0.516 . . . . 0.0 111.329 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.15 112.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.636 172.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.406 ' C ' ' HG1' ' A' ' 133' ' ' THR . 14.5 m -68.62 -62.44 1.39 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.406 ' HG1' ' C ' ' A' ' 132' ' ' SER . 22.0 m . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.036 174.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t 58.72 49.69 9.8 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.475 0.655 . . . . 0.0 109.647 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.86 51.57 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.229 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -138.37 138.59 38.42 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 p -77.12 69.26 3.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.54 . . . . 0.0 111.513 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.514 ' HA ' HE21 ' A' ' 6' ' ' GLN . 0.1 OUTLIER -125.96 77.98 70.41 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.61 173.51 12.43 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.997 2.465 . . . . 0.0 113.483 -173.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.413 ' O ' HG13 ' A' ' 8' ' ' ILE . 5.9 tp -64.36 -13.06 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.921 -177.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -78.15 4.88 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -84.09 -2.79 57.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.72 0.295 . . . . 0.0 111.722 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -149.42 113.65 3.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.247 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.546 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 77.7 Cg_exo -51.08 -43.64 47.0 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.31 2.673 . . . . 0.0 112.988 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.58 -40.6 97.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.604 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.36 -44.97 64.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.847 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.9 79.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.476 ' HA ' ' HE3' ' A' ' 16' ' ' MET . 0.4 OUTLIER -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.269 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.2 m -59.57 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.265 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -30.22 67.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.329 -177.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -65.24 -45.69 83.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.573 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.76 -37.47 82.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 95.2 m-20 -66.0 -33.1 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.089 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.88 -44.39 96.22 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -51.77 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.792 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.6 pp0? -63.93 -32.06 73.46 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.869 0.366 . . . . 0.0 110.687 -175.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.39 -51.07 56.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.71 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 68.6 m -67.95 -15.21 63.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.503 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -114.21 8.6 16.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -71.71 -46.84 57.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.139 0.495 . . . . 0.0 110.917 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.76 4.08 73.2 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.86 -42.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.307 0.575 . . . . 0.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD23 ' HG2' ' A' ' 36' ' ' GLN . 7.2 mp -86.17 157.79 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.997 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -80.81 164.63 22.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.715 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.1 68.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.677 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -79.57 -44.9 20.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.802 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HG2' HD23 ' A' ' 32' ' ' LEU . 62.0 tt0 -64.61 -40.88 96.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.021 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.71 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 57.0 mtm -70.59 -39.84 73.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.854 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -71.64 -32.13 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.82 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.6 t70 -61.37 -32.52 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mtp -64.95 -29.28 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.52 -41.93 93.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.079 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.483 ' HA ' ' OD2' ' A' ' 45' ' ' ASP . 20.7 ptp -80.7 -17.58 50.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.181 0.515 . . . . 0.0 110.148 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -66.52 -34.96 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.289 172.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.37 75.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.444 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.483 ' OD2' ' HA ' ' A' ' 42' ' ' MET . 20.5 m-20 -63.47 -22.22 66.76 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.994 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.654 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.3 t -79.34 -46.68 17.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.69 -52.43 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.482 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.4 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 17.6 p30 -69.01 -30.19 68.53 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -63.64 -46.46 85.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.957 0.408 . . . . 0.0 110.037 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.654 ' HG3' ' O ' ' A' ' 46' ' ' SER . 58.5 mt-30 -71.14 -36.84 72.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.467 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.546 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 56.2 ttp -62.18 -39.2 91.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.114 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.4 -28.36 56.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.647 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 59.6 pttt -81.92 -12.75 58.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.304 0.573 . . . . 0.0 109.772 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.681 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 60.8 ttp -79.03 -33.74 44.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.445 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 107.96 146.35 12.38 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.926 175.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.34 19.61 0.92 Allowed 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.875 2.383 . . . . 0.0 111.927 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 55' ' ' GLY . 2.7 t-20 -166.5 61.36 0.65 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 97.7 Cg_endo -91.25 162.08 3.74 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.206 2.604 . . . . 0.0 114.434 -166.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 2.9 Cg_exo -75.19 153.04 40.59 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.115 2.543 . . . . 0.0 111.791 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . 6.3 tp60 -59.04 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -65.53 -23.17 66.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.635 0.255 . . . . 0.0 111.319 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.681 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 29.4 mmt180 -70.92 -44.23 66.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.95 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.97 -36.78 84.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.185 -175.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.34 -18.38 64.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.59 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.74 -16.01 16.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.7 mmm -72.39 -27.49 62.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.351 0.596 . . . . 0.0 110.206 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -59.85 -51.36 70.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.407 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.7 m -63.64 -39.8 95.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.758 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.83 -46.63 87.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.9 ttm -64.14 -48.17 77.07 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.226 0.536 . . . . 0.0 109.857 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.85 73.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.014 -176.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.22 75.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.238 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 7.7 mm-40 -73.65 -42.28 61.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.512 . . . . 0.0 109.934 178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.21 -28.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.56 -31.32 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.171 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -60.67 -53.96 51.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.275 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 80' ' ' THR . 34.5 m -67.7 -29.91 46.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.977 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.7 t -72.41 -43.47 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.803 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -21.99 66.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 77' ' ' VAL . 0.7 OUTLIER -79.36 -5.91 55.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 111.122 -177.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.1 m -90.93 128.94 45.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.896 -176.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.61 150.35 88.35 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.549 2.166 . . . . 0.0 111.285 173.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.03 -29.05 53.01 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.133 2.556 . . . . 0.0 112.711 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.04 -28.63 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.817 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 m -122.01 -1.56 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.924 0.392 . . . . 0.0 110.814 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -62.07 -46.01 91.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.356 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -29.71 69.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.525 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.55 -36.46 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.1 t -68.85 -35.67 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.895 177.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -58.2 7.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.55 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -66.74 -36.33 82.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.14 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.7 m -60.54 -51.16 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.0 mm -57.25 -49.54 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -44.88 96.97 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.012 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.76 -51.56 54.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.685 0.279 . . . . 0.0 111.066 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.07 -38.18 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.866 -176.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tt -73.04 -39.38 66.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 110.402 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.421 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.1 ttm180 -64.57 -35.56 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 111.133 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 25.7 mm-40 -74.91 -58.09 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.056 0.455 . . . . 0.0 110.314 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.438 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 30.8 p -54.84 -35.15 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.472 -173.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 107' ' ' SER . 25.1 ttt -56.46 -47.62 78.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.144 0.278 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.42 -13.82 45.16 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.629 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.438 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.3 OUTLIER -67.33 -26.49 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.707 173.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.547 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -70.53 -70.23 0.31 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.547 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.3 t 164.11 -19.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.538 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.26 16.11 50.31 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.443 -176.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.574 ' O ' ' HG2' ' A' ' 101' ' ' MET . 55.8 m 62.28 179.89 0.13 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.013 0.435 . . . . 0.0 110.969 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.467 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 2.8 p -116.67 102.32 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.687 0.756 . . . . 0.0 109.716 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.92 145.05 47.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.221 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -75.62 -23.82 56.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.688 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.31 8.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.305 -0.158 . . . . 0.0 110.794 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.1 -57.13 12.23 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.576 0.547 . . . . 0.0 111.091 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.6 p -58.49 -41.81 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.222 0.534 . . . . 0.0 110.856 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -65.0 -47.03 78.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.99 -50.51 71.79 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 122.795 0.438 . . . . 0.0 110.84 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.534 ' O ' HG21 ' A' ' 120' ' ' VAL . 95.3 t -59.77 -43.6 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.83 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -50.51 69.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.412 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -67.77 -42.05 82.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.51 -50.35 74.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.712 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 116' ' ' VAL . 93.1 t -56.42 -42.27 74.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.756 0.313 . . . . 0.0 110.861 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.472 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . 0.2 OUTLIER -67.73 -50.65 56.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.569 178.7 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.4 tmm? -63.48 -24.69 67.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.768 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.2 mt -93.18 5.38 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -131.79 -59.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.972 0.415 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -157.18 110.3 2.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.738 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -77.46 -20.49 54.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.271 0.558 . . . . 0.0 111.97 -171.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.4 m -116.92 8.76 13.59 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.769 -175.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.65 97.62 11.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.473 0.654 . . . . 0.0 110.969 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.35 -36.94 0.13 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.495 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 68.64 100.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.092 -177.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 11.8 p -163.56 137.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.251 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.2 m -81.6 65.85 6.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.339 0.59 . . . . 0.0 111.342 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.513 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -71.28 113.09 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.668 0.27 . . . . 0.0 110.289 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.579 ' HA2' ' OD1' ' A' ' 109' ' ' ASP . . . 168.31 96.07 0.1 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.382 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -103.83 -174.19 2.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 p -95.94 1.85 53.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.83 0.347 . . . . 0.0 111.503 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -124.27 87.4 53.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.549 ' O ' HG21 ' A' ' 8' ' ' ILE . 64.3 Cg_endo -74.5 69.89 5.02 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.827 2.351 . . . . 0.0 113.917 -172.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.57 HD11 ' SD ' ' A' ' 18' ' ' MET . 12.3 tt 63.7 -17.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 125.622 1.569 . . . . 0.0 114.77 167.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.48 ' HB2' HD21 ' A' ' 63' ' ' LEU . 92.4 m95 -71.59 -4.23 25.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -84.22 -6.89 59.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.758 0.314 . . . . 0.0 110.92 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -130.42 99.8 18.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 109.987 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.457 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 67.2 Cg_exo -51.66 -43.46 50.68 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.468 2.779 . . . . 0.0 113.716 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.08 -44.6 87.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.858 0.361 . . . . 0.0 110.449 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.29 70.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.823 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -62.66 -43.04 99.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.041 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.648 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.3 mmt -68.62 -29.27 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.324 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -58.73 -43.9 90.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.57 ' SD ' HD11 ' A' ' 8' ' ' ILE . 25.8 mtm -60.57 -56.0 26.59 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.511 0.672 . . . . 0.0 110.04 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -60.2 -42.32 94.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.984 -171.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.75 -41.87 91.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 110.487 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 78.9 m-20 -66.9 -35.8 80.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.21 -49.66 76.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.912 0.387 . . . . 0.0 110.321 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.38 -46.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.832 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -69.5 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.61 -175.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.43 -49.67 68.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.78 -26.12 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.0 t -75.4 -17.83 60.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.59 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -116.56 18.51 15.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.388 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.0 p -77.13 -44.59 29.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.367 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 -1.16 76.37 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -173.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -101.58 -36.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.861 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -85.66 179.36 7.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' A' ' 37' ' ' MET . 10.0 t -119.13 166.52 12.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.888 0.375 . . . . 0.0 110.669 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.59 -43.23 99.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.431 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.36 -29.07 65.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.233 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.1 mtt -68.19 -37.08 80.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.57 -38.83 77.55 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.65 -35.74 81.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.192 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.66 -37.12 86.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.8 83.42 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.593 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.64 -24.44 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -63.29 -40.99 98.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.72 91.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.024 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.95 -39.9 91.29 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -59.79 -40.37 88.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.038 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.47 -56.74 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.783 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.648 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 22.6 p30 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 t -65.48 -53.08 47.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -64.08 -36.4 83.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.887 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.565 ' SD ' ' HB3' ' A' ' 15' ' ' ALA . 46.0 ttp -64.56 -41.08 96.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.24 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -67.55 -20.33 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -99.29 3.83 46.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.256 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.1 ttp -77.47 -43.87 30.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.931 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.98 127.58 5.15 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.583 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.89 142.91 99.0 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.468 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 41.3 m-80 59.07 54.63 5.01 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 40.5 Cg_endo -95.84 174.36 0.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.997 2.464 . . . . 0.0 112.937 -173.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.86 155.61 53.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.443 2.095 . . . . 0.0 110.594 171.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -69.37 -14.33 62.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -172.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -68.9 -21.65 64.22 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.337 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -74.68 -50.73 16.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 110.056 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 9' ' ' TRP . 15.8 mt -63.68 -45.42 90.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.738 -176.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -60.24 -23.75 64.31 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.997 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.18 -0.82 57.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.455 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 97.2 mmm -103.07 -34.16 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.539 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -44.49 95.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.603 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.535 HG21 ' CD2' ' A' ' 119' ' ' LEU . 41.6 m -69.13 -29.21 67.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.45 . . . . 0.0 110.722 176.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.19 -50.69 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.203 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.492 ' O ' HG23 ' A' ' 74' ' ' VAL . 34.3 ttm -57.99 -47.36 83.24 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.033 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.67 -40.75 72.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.572 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.83 67.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 42.8 mm-40 -63.75 -44.38 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 70' ' ' MET . 28.7 m -76.96 -22.38 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.5 71.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.14 -41.47 92.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.51 -42.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.144 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.78 -36.77 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.888 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.51 -27.2 68.42 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.4 m -71.66 -19.25 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 111.351 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -71.57 130.33 87.48 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.513 -174.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.53 143.03 98.57 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.523 2.149 . . . . 0.0 111.094 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -31.97 76.26 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.908 2.405 . . . . 0.0 112.903 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -85.21 2.15 45.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.582 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.2 t -125.2 -10.07 7.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 109.938 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -54.78 -46.25 74.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.527 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 m -57.02 -39.15 74.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.281 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.89 64.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.043 0.449 . . . . 0.0 110.459 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.57 -48.0 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.708 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -43.52 91.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.552 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -64.38 -32.83 74.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -66.11 -41.94 89.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.865 0.364 . . . . 0.0 110.2 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.8 -52.09 64.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.669 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.4 99.48 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.732 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.37 -52.73 63.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.649 0.261 . . . . 0.0 111.284 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 97.2 m -64.27 -42.94 96.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.89 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.657 0.265 . . . . 0.0 110.435 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -56.35 -53.88 52.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.816 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 9.8 pt-20 -69.75 -42.8 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.181 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.6 m -58.37 -38.96 78.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.408 ' HA ' ' HG2' ' A' ' 18' ' ' MET . 21.7 ttt -64.62 -52.56 56.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 111.263 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 102' ' ' MET . 19.0 ptm -74.68 -24.42 58.78 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.136 -176.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -61.05 -28.28 68.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.891 177.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -71.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.7 t 174.91 -31.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.953 0.406 . . . . 0.0 110.957 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.64 11.09 65.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.465 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 m 63.23 -175.43 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.026 0.441 . . . . 0.0 111.196 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.0 p -106.74 107.65 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 121.736 0.779 . . . . 0.0 110.006 -176.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.579 ' OD1' ' HA2' ' A' ' 3' ' ' GLY . 22.0 t70 -71.77 150.23 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.709 -175.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -81.17 -26.48 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.231 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -92.32 -43.26 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.701 0.286 . . . . 0.0 110.554 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 116' ' ' VAL . 34.3 t80 -53.92 -58.51 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.664 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 38.3 p -61.58 -40.97 96.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -65.72 -40.78 92.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.615 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.85 -50.16 69.94 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.0 t -54.09 -52.69 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.142 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 49.2 mmm -73.11 7.1 2.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -107.81 -54.19 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.535 ' CD2' HG21 ' A' ' 68' ' ' THR . 9.8 mp -70.45 -36.07 73.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.126 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.14 -36.82 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.194 0.521 . . . . 0.0 110.461 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -78.8 -49.31 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.397 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 59.8 ttp -66.56 -34.16 77.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.324 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.3 mt -83.44 4.72 26.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.122 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.3 p -130.37 -68.2 0.7 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.914 0.388 . . . . 0.0 110.169 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -174.58 110.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.865 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -94.06 5.99 49.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.768 0.794 . . . . 0.0 109.816 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.4 m -67.29 -17.78 64.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.451 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.96 25.13 9.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.26 0.552 . . . . 0.0 110.615 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.87 -21.17 57.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.855 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.64 93.56 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.436 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 12.5 p -83.19 131.91 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.546 0.689 . . . . 0.0 111.131 -174.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.4 p -102.72 25.29 9.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.048 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.203 -179.208 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -114.72 -11.18 12.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.47 . . . . 0.0 110.592 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.34 -122.44 5.74 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.049 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -136.93 -58.96 0.71 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.58 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 17.7 t -156.25 31.46 0.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -101.04 97.96 7.88 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.893 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 5' ' ' SER . 5.9 Cg_exo -77.01 -69.48 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.842 2.361 . . . . 0.0 112.517 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.2 tt -128.84 -6.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.394 0.616 . . . . 0.0 110.579 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -89.05 9.14 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.701 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -36.68 83.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.836 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.67 134.42 23.51 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.302 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.1 -38.99 93.2 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.423 2.748 . . . . 0.0 113.133 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.87 -43.49 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.256 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.25 59.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -57.27 -55.91 28.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.257 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -29.41 70.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.12 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.49 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 0.0 OUTLIER -70.6 -28.85 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.473 -175.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -71.41 -42.77 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.644 0.259 . . . . 0.0 110.727 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.16 -44.79 75.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.676 0.274 . . . . 0.0 110.89 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.71 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.25 -48.69 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.77 -47.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.035 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.51 -31.26 72.4 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.48 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -66.93 -47.73 70.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.213 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.58 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.499 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.2 t -66.86 -21.58 66.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -112.06 11.81 20.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -75.51 -45.79 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.23 4.47 86.39 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.52 -41.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.096 0.474 . . . . 0.0 110.551 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mp -83.02 157.94 22.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.415 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 p -77.02 168.3 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.92 -24.52 67.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 110.236 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.15 -50.28 10.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.611 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -52.41 -44.31 65.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.818 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.499 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.9 mtm -66.19 -35.31 80.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.195 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.49 -34.74 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.481 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.19 -39.53 82.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 0.0 110.091 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mtp -70.09 -33.98 72.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.52 -48.86 84.1 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.258 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -72.03 -23.37 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 110.535 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.09 -42.76 96.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.772 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.59 82.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -63.21 -41.7 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.041 0.448 . . . . 0.0 110.273 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.5 t -62.08 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.549 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.43 -38.94 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.671 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -49.94 -54.29 20.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.134 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -63.11 -41.19 99.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.687 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 49.9 mt-30 -72.97 -32.72 65.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.704 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -72.08 -41.77 66.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.874 0.369 . . . . 0.0 110.455 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.77 -31.7 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.518 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 62.7 pttt -72.02 -15.84 62.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.001 0.429 . . . . 0.0 110.395 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.516 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 35.9 ttp -82.25 -44.02 16.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.178 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 -177.03 53.5 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.512 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 152.55 51.61 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.351 2.701 . . . . 0.0 112.426 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 94.1 m-20 51.7 64.83 7.22 Favored Pre-proline 0 N--CA 1.466 0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.3 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB3' ' CG ' ' A' ' 54' ' ' MET . 4.5 Cg_exo -77.74 128.57 9.44 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.799 2.333 . . . . 0.0 112.614 -176.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.15 163.25 29.64 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.535 2.157 . . . . 0.0 111.447 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -55.65 -40.84 72.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -68.38 -11.8 60.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.516 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 23.0 mmt180 -83.12 -46.35 12.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.284 -0.26 . . . . 0.0 110.61 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.64 -33.99 77.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.192 0.52 . . . . 0.0 109.9 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -66.13 -23.78 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.886 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.27 -34.24 20.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.845 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.29 -38.7 81.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.19 -40.17 92.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.479 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 m -76.89 -32.75 57.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.49 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.3 -46.03 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.5 ttm -69.41 -50.56 44.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.359 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.67 -43.17 80.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.649 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.18 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 58.6 mm-40 -76.38 -43.39 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.56 ' O ' HG22 ' A' ' 77' ' ' VAL . 22.7 m -75.16 -17.62 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.759 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.88 55.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.273 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.8 -49.98 75.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 74' ' ' VAL . 11.2 m -69.16 -27.74 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 110.728 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.443 HG22 ' CG1' ' A' ' 120' ' ' VAL . 61.1 t -73.59 -38.62 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.197 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.78 -28.45 69.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.675 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 m -72.67 -10.74 60.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.068 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.4 m -93.6 114.89 64.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 84' ' ' GLN . 72.1 Cg_endo -77.07 167.47 24.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.624 2.216 . . . . 0.0 112.129 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.716 ' O ' ' HA ' ' A' ' 130' ' ' GLU . 38.6 Cg_endo -68.3 29.86 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.278 2.652 . . . . 0.0 113.572 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.485 ' H ' ' C ' ' A' ' 82' ' ' PRO . 75.9 mt-30 -127.55 -2.9 6.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.12 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -152.94 14.95 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 111.059 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.41 -50.75 43.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.485 -176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.664 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 38.8 m -76.57 8.3 3.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.25 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.98 -41.14 6.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 93' ' ' ILE . 94.5 t -76.97 -50.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.17 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -38.97 76.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.239 0.542 . . . . 0.0 109.778 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.664 ' HB2' ' O ' ' A' ' 87' ' ' SER . 8.9 t-20 -56.37 -49.01 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.23 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 m -64.33 -42.81 96.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.073 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -58.2 -56.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.9 -35.77 92.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.717 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.57 -54.97 9.99 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 111.149 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.53 -29.9 70.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.995 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -66.76 -54.45 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.954 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 3.2 ptp180 -61.47 -41.23 96.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.486 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -58.99 -56.07 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 111.075 177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 23.4 m -56.87 -35.45 68.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.711 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.7 mmm -54.47 -54.3 42.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.54 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.1 ptm -78.28 -18.26 55.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.399 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -77.97 -18.7 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.555 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.02 -62.47 1.66 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.2 t 165.65 -20.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.67 0.606 . . . . 0.0 111.25 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.76 15.93 34.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.76 -173.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.2 p 52.25 -172.16 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.447 0.699 . . . . 0.0 111.768 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.37 91.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.954 0.407 . . . . 0.0 110.004 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.59 111.02 9.37 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.419 HD21 ' N ' ' A' ' 110' ' ' ASN . 0.9 OUTLIER -65.29 -38.1 89.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.253 -174.625 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.67 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.311 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 116' ' ' VAL . 88.6 t80 -60.54 -55.24 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 p -58.43 -42.87 88.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.525 0.203 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.65 -43.17 99.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.361 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.71 -42.17 86.8 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-O 120.699 0.285 . . . . 0.0 110.58 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 120' ' ' VAL . 98.6 t -58.83 -51.75 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.057 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.478 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 6.7 mmt -53.67 -47.11 70.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.796 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -54.29 -57.34 11.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.34 -49.88 72.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.051 -176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 116' ' ' VAL . 79.5 t -53.53 -48.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.688 0.28 . . . . 0.0 111.421 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -68.7 -43.77 75.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.82 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 47.7 ttp -66.68 -30.52 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.994 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.19 5.24 42.45 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 p -135.34 -69.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -166.76 113.39 0.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.717 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -113.67 17.7 18.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.437 0.637 . . . . 0.0 110.224 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.9 m -125.55 7.06 7.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.286 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.84 98.69 11.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.727 0.299 . . . . 0.0 110.951 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -118.06 142.45 47.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.716 ' HA ' ' O ' ' A' ' 83' ' ' PRO . 24.2 mp0 -58.55 120.88 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.362 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 48.3 t -71.86 110.8 5.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.5 t -74.13 78.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.401 0.619 . . . . 0.0 110.413 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.057 178.082 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -88.14 132.72 34.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.6 156.34 26.95 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.8 t30 70.19 -65.67 0.31 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.019 0.528 . . . . 0.0 111.34 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 p -107.06 155.86 19.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.305 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.474 ' OE1' HD13 ' A' ' 63' ' ' LEU . 19.0 mm-40 60.79 81.94 0.23 Allowed Pre-proline 0 C--O 1.235 0.312 0 O-C-N 123.571 0.544 . . . . 0.0 111.464 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.546 ' O ' HG23 ' A' ' 8' ' ' ILE . 11.2 Cg_endo -88.94 96.53 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.115 2.543 . . . . 0.0 113.34 -175.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 7' ' ' PRO . 12.5 tt 64.99 -32.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.907 1.683 . . . . 0.0 114.863 170.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -70.94 -5.37 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.289 0.495 . . . . 0.0 111.034 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -18.6 64.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 175.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -130.53 103.79 16.21 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.875 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.9 -35.71 71.83 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.842 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.84 -43.87 97.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.383 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.21 -43.28 74.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.142 0.496 . . . . 0.0 110.733 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -63.52 -41.45 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.001 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.521 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -69.4 -37.37 77.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.173 177.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.9 m -59.29 -48.47 81.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.386 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -64.28 -36.59 84.58 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.416 ' HB ' ' HE2' ' A' ' 16' ' ' MET . 57.4 m -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.091 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -79.74 -34.28 40.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.787 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.484 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 81.4 m-20 -68.37 -23.91 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.9 -37.71 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.73 -46.18 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.77 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.484 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -68.49 -35.36 77.42 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.881 -175.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.81 -45.89 70.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.352 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.44 -24.19 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.1 t -70.18 -19.68 63.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -113.42 21.95 14.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.265 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.2 p -82.69 -43.6 16.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.261 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.63 12.57 71.98 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.95 -43.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.569 -0.315 . . . . 0.0 111.241 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.77 173.67 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.276 0.56 . . . . 0.0 111.675 -174.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -96.65 169.49 9.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.349 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 -28.72 68.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.503 . . . . 0.0 109.764 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.15 -52.39 23.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.945 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 40' ' ' MET . 77.2 mt-30 -57.45 -49.08 77.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.894 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.0 mtm -61.48 -37.26 82.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.64 -38.31 29.41 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.753 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.33 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.379 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.2 mtp -60.31 -36.24 77.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.145 0.497 . . . . 0.0 110.624 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.17 -24.08 76.83 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.721 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.7 mtm -85.07 -31.81 23.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.397 0.142 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 1.5 ptt? -70.22 -33.5 71.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -61.3 -28.84 69.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.224 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.21 -46.46 88.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.1 m -64.77 -28.07 69.32 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.937 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.39 -54.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.49 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 12.4 p30 -70.93 -28.25 64.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.178 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -59.82 -42.77 94.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.056 0.455 . . . . 0.0 109.932 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.94 -30.66 56.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.706 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' A' ' 54' ' ' MET . 52.2 ttp -70.16 -34.45 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 49.1 mt-30 -66.61 -27.65 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 110.307 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -89.18 10.79 20.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.624 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.698 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 39.4 ttm -89.49 -44.94 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.914 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.39 166.92 20.29 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.171 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.6 20.05 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.174 2.583 . . . . 0.0 112.55 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -167.51 84.69 0.8 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.698 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 37.7 Cg_endo -66.66 123.73 11.45 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 123.15 2.567 . . . . 0.0 114.347 -170.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.37 157.33 33.02 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.908 2.405 . . . . 0.0 110.515 167.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -59.11 -32.5 69.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -70.25 -12.78 61.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.255 -178.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.12 -43.18 12.46 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.474 HD13 ' OE1' ' A' ' 6' ' ' GLN . 63.9 mt -61.52 -43.92 97.99 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -30.51 71.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.885 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.8 -43.87 12.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.447 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 95.8 mmm -63.98 -36.46 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -172.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -64.61 -34.93 79.42 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.492 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -84.07 -39.08 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.952 0.405 . . . . 0.0 110.353 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.38 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -72.33 -43.32 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.98 -32.64 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.45 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.61 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.523 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -76.06 -30.95 58.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.5 m -74.4 -23.39 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.41 -18.69 59.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.017 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -61.2 -49.29 77.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.14 -24.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.714 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.509 HG12 ' CE2' ' A' ' 86' ' ' TYR . 23.3 t -78.57 -30.6 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.171 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.78 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -80.34 -0.7 37.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.346 0.594 . . . . 0.0 110.369 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -101.58 123.27 44.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.22 147.78 74.23 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.669 2.246 . . . . 0.0 111.838 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.03 -39.19 25.19 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.574 2.849 . . . . 0.0 114.117 -175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.51 -24.65 60.18 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m -102.63 -8.79 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.382 0.611 . . . . 0.0 109.988 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.509 ' CE2' HG12 ' A' ' 78' ' ' VAL . 41.4 t80 -60.1 -43.79 95.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.389 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 m -56.09 -35.95 67.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.807 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.07 -36.49 64.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.168 0.509 . . . . 0.0 110.212 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.24 -45.31 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.589 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.54 -50.12 74.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.734 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -60.49 -37.13 80.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -61.16 -49.98 75.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.48 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mm -59.07 -48.34 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.589 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.41 -47.76 89.53 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 113.005 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.29 69.68 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.944 0.402 . . . . 0.0 111.003 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.11 -38.06 89.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.641 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.98 -43.99 94.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.514 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -57.04 -56.27 23.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -63.77 -40.78 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.544 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.7 m -58.16 -31.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.98 -40.47 83.12 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.823 0.344 . . . . 0.0 110.794 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 14.7 ptm -83.08 -19.32 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.507 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -71.98 -21.25 61.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.087 0.47 . . . . 0.0 109.857 172.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.463 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -82.04 -69.18 0.64 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.327 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.1 t 173.37 -24.15 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.376 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.06 7.26 71.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.906 -172.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.6 t 63.22 -165.71 0.24 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.913 0.356 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.4 t -106.76 102.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.06 160.03 32.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.232 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -117.76 2.05 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -173.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.48 -49.89 2.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.672 0.273 . . . . 0.0 110.477 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.423 ' O ' HG22 ' A' ' 116' ' ' VAL . 66.3 t80 -60.57 -61.6 2.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.677 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -30.68 68.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.29 0.567 . . . . 0.0 110.913 -177.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 117' ' ' MET . 35.3 t30 -74.04 -46.22 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.24 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.52 -31.29 65.2 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 122.274 -0.266 . . . . 0.0 110.59 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.532 ' O ' HG23 ' A' ' 120' ' ' VAL . 53.7 t -59.49 -43.95 91.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 170.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.505 ' HB2' ' O ' ' A' ' 114' ' ' ASN . 2.9 mmt -54.11 -51.12 65.22 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 174.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.88 -42.06 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.698 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.99 -48.76 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.516 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 116' ' ' VAL . 95.4 t -56.49 -42.87 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.719 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 49.1 mttt -60.97 -46.43 90.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.194 178.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -82.19 -26.49 33.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.429 -173.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -93.03 15.26 15.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.726 0.298 . . . . 0.0 111.474 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 p -123.66 -64.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.373 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -171.75 118.51 0.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.39 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.12 67.67 5.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.701 0.762 . . . . 0.0 109.64 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 40.7 m -140.77 20.74 2.33 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.179 177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.31 8.35 36.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.015 -172.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -65.21 118.49 9.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.56 . . . . 0.0 109.926 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.18 137.75 47.13 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.258 -172.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.95 124.48 44.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.4 p -74.88 73.3 2.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.454 0.645 . . . . 0.0 111.805 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.314 174.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.546 -0.621 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m 59.58 70.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.217 0.532 . . . . 0.0 110.959 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -135.91 130.55 5.38 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' ND2' ' HB2' ' A' ' 6' ' ' GLN . 13.3 t30 -154.45 149.59 26.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.657 0.265 . . . . 0.0 110.56 -177.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -75.74 7.81 3.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 2.4 mp0 -103.7 107.59 56.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 122.29 -0.256 . . . . 0.0 110.68 177.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -69.9 -164.6 0.13 Allowed 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 123.101 2.534 . . . . 0.0 113.549 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 8' ' ' ILE . 5.1 tp -68.07 -18.06 23.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.183 -176.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -79.85 29.47 0.26 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 111.244 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.454 ' CG2' ' HB3' ' A' ' 6' ' ' GLN . 0.6 OUTLIER -86.85 -42.29 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.09 0.471 . . . . 0.0 111.348 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -116.49 121.06 33.78 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.237 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.735 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.9 Cg_endo -53.87 -39.2 85.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.935 2.423 . . . . 0.0 112.524 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -65.8 -41.76 91.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.602 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.94 66.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.009 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.24 91.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.663 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.5 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -61.99 -39.22 91.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.62 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.0 m -57.92 -51.04 71.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.336 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -27.69 66.52 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.235 -177.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.469 ' HB ' ' HE3' ' A' ' 16' ' ' MET . 99.5 m -71.11 -48.21 53.56 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.962 176.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.84 -35.51 80.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.628 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.456 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m-80 -65.4 -27.12 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.013 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.32 -42.35 98.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.6 t -68.11 -47.28 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.456 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 5.3 pp0? -65.76 -35.03 79.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.733 0.301 . . . . 0.0 110.813 -176.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -69.57 -43.39 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.24 -27.87 64.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.609 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.676 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.7 t -68.99 -20.62 64.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -105.62 10.13 33.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.206 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -72.02 -47.05 54.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.066 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.31 11.52 82.04 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.4 t -111.28 -36.08 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.5 mt -79.82 173.53 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.335 0.588 . . . . 0.0 110.912 -176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.4 p -98.06 168.68 10.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.992 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.9 -27.71 66.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.256 0.551 . . . . 0.0 109.939 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.56 -48.32 33.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.124 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.87 -44.04 97.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.749 -175.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.676 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 71.1 mtm -68.64 -28.11 66.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.922 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.62 -37.48 65.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.905 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HB3' HG11 ' A' ' 77' ' ' VAL . 2.8 m-20 -61.43 -34.13 74.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.026 0.441 . . . . 0.0 110.482 176.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.417 ' O ' ' HG3' ' A' ' 43' ' ' MET . 82.5 mtp -65.12 -37.91 88.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.482 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.82 -42.6 96.96 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.479 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.2 ptp -75.82 -27.94 58.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.531 ' O ' HG22 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.68 -28.68 51.17 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.635 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.64 74.71 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.336 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -59.71 -47.25 86.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.476 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -65.9 -28.69 69.13 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 43' ' ' MET . 71.7 t -62.07 -53.93 41.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.77 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.5 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 7.1 p30 -68.0 -32.9 73.61 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.286 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -59.23 -52.53 65.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.979 0.419 . . . . 0.0 110.095 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -70.1 -42.94 72.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.518 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.735 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.6 tmm? -68.58 -39.59 80.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.01 -175.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.106 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.64 -11.99 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.281 175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' A' ' 51' ' ' MET . 41.7 ttp -69.51 -37.02 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.623 174.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 87.08 163.69 39.19 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.923 174.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -76.49 149.94 31.37 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.502 2.135 . . . . 0.0 111.931 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.535 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 45.6 m-80 61.36 53.21 2.67 Favored Pre-proline 0 N--CA 1.467 0.408 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.911 -177.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 10.1 Cg_endo -89.8 157.97 5.08 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.97 2.447 . . . . 0.0 113.01 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -67.23 139.06 48.98 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.7 2.266 . . . . 0.0 110.999 175.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.24 -24.23 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -71.02 -19.65 62.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.462 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -75.69 -50.49 15.25 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.55 -36.05 73.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.116 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -51.99 -51.55 56.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.658 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.48 -25.61 57.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.451 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -40.44 76.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -63.03 -50.52 70.32 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.6 m -60.45 -45.83 92.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.459 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.18 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.338 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.435 ' O ' HG21 ' A' ' 74' ' ' VAL . 15.0 tmm? -67.44 -46.87 71.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.972 0.415 . . . . 0.0 109.933 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.85 78.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.494 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.78 86.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.03 -29.06 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.972 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.646 ' O ' HG23 ' A' ' 77' ' ' VAL . 83.0 t -69.49 -40.47 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 171.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.44 -36.19 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -59.65 -41.19 89.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.339 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 74' ' ' VAL . 1.4 m -71.83 -28.2 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.463 . . . . 0.0 109.878 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 74' ' ' VAL . 47.5 t -77.91 -26.9 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.983 0.421 . . . . 0.0 110.36 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -12.29 60.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.013 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 t -78.05 -7.71 57.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 110.199 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m -88.62 130.5 45.06 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.79 160.69 47.17 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.022 1.815 . . . . 0.0 110.523 170.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.61 -28.03 27.69 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.042 2.495 . . . . 0.0 113.463 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.85 -56.84 6.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.645 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.4 p -86.91 -7.05 58.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.09 -46.8 65.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.411 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -59.39 -38.86 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.327 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.42 -33.66 67.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.232 0.539 . . . . 0.0 110.443 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.63 -48.74 63.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.357 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -49.7 75.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.226 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -62.53 -31.66 72.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -68.79 -41.7 78.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.548 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.72 -49.58 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.09 -22.21 68.67 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.269 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.26 -52.52 7.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 110.708 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.52 -39.98 94.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.964 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 97' ' ' LEU . 2.5 tm? -65.44 -29.84 70.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.305 0.574 . . . . 0.0 109.917 -178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -71.57 -38.64 70.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.656 -178.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 9.8 pt-20 -82.36 -39.51 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.889 -174.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.3 p -61.87 -31.52 71.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.767 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 107' ' ' SER . 61.5 mmm -56.45 -49.36 74.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 ptp -80.5 -28.23 37.52 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.056 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.13 -29.74 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.419 . . . . 0.0 110.618 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.452 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -69.12 -69.42 0.33 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.3 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 10.2 t 166.62 -25.38 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.258 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.2 1.75 59.04 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.392 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 101' ' ' MET . 36.2 m 63.49 172.78 0.16 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.08 0.467 . . . . 0.0 110.376 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -103.12 100.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.781 0.8 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.36 150.33 31.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.452 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.446 ' N ' HD21 ' A' ' 110' ' ' ASN . 0.9 OUTLIER -82.49 -34.75 27.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.254 -176.45 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.88 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.703 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.34 -58.42 7.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.508 ' O ' ' HG2' ' A' ' 117' ' ' MET . 17.5 p -55.16 -48.58 73.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.292 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -56.85 -50.32 72.79 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.927 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.32 -43.78 89.91 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.521 0.2 . . . . 0.0 110.888 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 120' ' ' VAL . 70.5 t -59.38 -49.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' A' ' 113' ' ' THR . 68.1 mmm -56.46 -47.76 78.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -54.81 -49.43 71.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.3 mt -65.23 -44.26 88.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.566 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 116' ' ' VAL . 69.8 t -57.07 -43.33 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.448 . . . . 0.0 110.82 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -71.41 -43.35 66.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.121 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 49.3 ttp -73.78 -28.48 61.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.686 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.29 11.93 30.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.693 0.282 . . . . 0.0 111.105 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 p -117.61 -63.36 1.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.06 103.01 4.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.217 0.532 . . . . 0.0 111.064 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -81.82 58.02 3.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.763 0.792 . . . . 0.0 110.218 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.4 m -159.77 -23.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.635 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.88 98.6 3.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.506 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 75.53 -2.16 2.86 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.662 171.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.501 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -63.32 139.71 58.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.039 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 130' ' ' GLU . 2.3 p 53.9 16.73 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.294 1.037 . . . . 0.0 112.453 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.1 m -96.15 94.79 7.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.037 0.446 . . . . 0.0 110.386 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.288 178.609 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -138.32 107.68 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.891 0.377 . . . . 0.0 110.173 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.72 63.0 4.52 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.36 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -98.5 126.89 44.22 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.601 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 15.1 p -96.54 6.18 49.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.873 0.368 . . . . 0.0 111.212 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -105.85 84.58 1.29 Allowed Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.292 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.628 ' O ' HG22 ' A' ' 8' ' ' ILE . 67.5 Cg_endo -93.12 70.41 0.47 Allowed 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.885 2.39 . . . . 0.0 112.813 -174.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 7' ' ' PRO . 9.8 tt 67.38 -20.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.041 1.337 . . . . 0.0 113.767 172.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -82.78 14.76 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -40.96 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.221 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -145.25 140.67 16.25 Favored Pre-proline 0 N--CA 1.447 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.772 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.4 Cg_exo -41.53 -50.97 4.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 124.199 3.266 . . . . 0.0 114.277 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.33 -36.49 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.557 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.13 -48.92 64.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.214 0.53 . . . . 0.0 111.235 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.31 -42.66 59.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.64 -175.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.615 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.681 0.277 . . . . 0.0 111.047 -178.382 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.3 m -59.57 -51.21 70.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.24 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -26.98 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.26 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -69.11 -44.95 71.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -68.49 -40.8 80.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.497 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 6.4 m-20 -63.74 -30.11 71.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.134 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.74 -48.96 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.489 . . . . 0.0 109.813 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.03 -47.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.245 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.1 pt20 -65.68 -35.51 80.97 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.794 0.331 . . . . 0.0 110.824 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.5 t -67.21 -45.83 75.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.095 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -22.09 62.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.786 -177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -74.01 -29.62 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -103.08 15.43 29.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.389 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.0 p -71.19 -48.82 49.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.463 0.649 . . . . 0.0 110.614 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.59 -3.25 59.2 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG12 HD11 ' A' ' 32' ' ' LEU . 3.8 p -105.43 -30.64 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.989 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 HD11 HG12 ' A' ' 31' ' ' VAL . 8.2 mp -76.28 140.99 41.79 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.6 p -73.96 168.61 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.52 -25.68 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.596 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.22 -56.43 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.497 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 40' ' ' MET . 80.1 mt-30 -53.52 -43.02 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.481 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.3 ptp -64.82 -30.37 71.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.711 0.291 . . . . 0.0 111.062 -177.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.06 -37.91 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.078 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.1 m-20 -65.17 -25.69 67.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 82.7 mmm -59.24 -30.1 68.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.76 -49.25 56.49 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.623 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.1 ptp -65.8 -28.52 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.928 0.394 . . . . 0.0 110.611 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.536 ' O ' HG22 ' A' ' 47' ' ' VAL . 42.9 ttp -65.99 -46.27 78.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.983 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.97 78.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.73 -45.1 91.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.619 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -37.56 83.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.53 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 43' ' ' MET . 87.7 t -61.51 -51.2 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.336 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.615 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 25.0 p30 -69.38 -26.15 64.52 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.107 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 t -62.38 -53.26 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.772 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.4 tmm? -70.9 -44.59 65.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.847 -177.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -68.29 -37.15 80.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -81.45 3.4 24.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.68 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 43.0 ttm -68.58 -37.62 80.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 149.86 17.09 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.593 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.11 140.21 82.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.59 2.194 . . . . 0.0 111.546 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 62.37 78.93 0.28 Allowed Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 109.891 -173.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.8 Cg_exo -65.76 121.67 9.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.411 2.741 . . . . 0.0 113.459 -174.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -82.96 149.87 13.88 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.51 2.14 . . . . 0.0 111.786 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.62 -26.67 68.74 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -64.58 -22.89 67.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.999 0.428 . . . . 0.0 110.449 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 66' ' ' MET . 25.8 mmt180 -82.37 -45.54 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.674 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 58' ' ' PRO . 7.9 mp -57.04 -47.4 81.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.19 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -68.87 -4.66 17.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.976 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.22 -6.33 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.678 0.275 . . . . 0.0 110.934 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.5 mmm -88.38 -36.44 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.769 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -44.98 84.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.877 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -77.32 -29.15 53.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.891 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.51 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.446 ' O ' HG22 ' A' ' 74' ' ' VAL . 36.4 ttm -58.96 -45.09 91.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.861 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.42 -46.09 62.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.968 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.433 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -73.49 -41.14 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.945 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 78' ' ' VAL . 55.6 t -66.42 -31.6 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.098 0.475 . . . . 0.0 109.813 175.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.09 76.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.338 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -57.71 -55.42 35.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.443 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.0 -29.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.484 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.7 t -80.69 -29.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.812 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.47 -23.16 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 m -88.41 11.99 15.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.12 0.486 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -89.67 134.31 32.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.104 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.55 152.76 53.04 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 122.523 2.149 . . . . 0.0 111.749 172.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.71 -51.14 10.25 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.275 2.65 . . . . 0.0 113.851 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -77.44 -4.22 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 111.535 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 89' ' ' VAL . 16.4 m -101.05 -32.22 10.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.821 0.343 . . . . 0.0 110.248 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -52.1 -52.29 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.336 -174.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -62.44 -32.72 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.928 0.394 . . . . 0.0 111.731 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.31 -37.03 61.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.494 . . . . 0.0 109.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 85' ' ' SER . 98.0 t -69.35 -36.75 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.812 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HG ' ' CE ' ' A' ' 121' ' ' LYS . 3.4 tt -55.4 -53.08 60.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.441 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -66.77 -40.28 88.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.128 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.0 m -61.07 -51.63 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.4 mm -57.98 -48.05 85.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.696 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.81 -42.68 98.18 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.709 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.58 69.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.13 -42.81 95.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.446 HD12 HG22 ' A' ' 113' ' ' THR . 1.4 tm? -63.04 -43.85 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -52.86 -57.17 11.12 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.348 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.51 -53.01 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.697 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 m -50.89 -40.29 56.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.125 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.3 mmm -59.63 -49.71 76.69 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.943 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -31.11 61.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.91 -23.21 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.835 177.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.67 -69.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.153 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.6 t 176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.06 31.38 4.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.203 -173.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p 51.66 -171.55 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.506 0.723 . . . . 0.0 111.627 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -107.98 102.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-O 121.788 0.804 . . . . 0.0 110.135 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.73 161.06 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.239 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.27 -4.02 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -178.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.93 -59.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.584 0.231 . . . . 0.0 111.18 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -56.1 -53.87 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.193 0.52 . . . . 0.0 110.039 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.446 HG22 HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -58.37 -24.18 59.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.607 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -85.74 -49.76 7.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.417 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.81 -42.62 85.58 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 116.925 -0.125 . . . . 0.0 111.195 -177.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.628 ' O ' HG22 ' A' ' 120' ' ' VAL . 8.6 p -60.57 -39.53 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.51 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 1.2 mmt -60.51 -49.86 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.54 -44.71 89.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.851 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.79 -44.68 96.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.6 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 116' ' ' VAL . 84.7 t -53.37 -51.94 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.547 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.452 ' CE ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.47 -49.86 73.4 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.557 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 48.4 ttp -66.77 -29.9 69.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.924 0.392 . . . . 0.0 111.779 -175.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.61 1.03 56.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.0 p -124.11 -31.4 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.923 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.93 87.5 2.89 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -89.82 64.86 6.56 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.051 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.5 m 62.19 16.12 8.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.58 -176.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.36 92.12 2.77 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.194 0.521 . . . . 0.0 110.755 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -144.68 -58.03 0.36 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -75.32 127.06 32.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.72 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 45.8 t -74.41 90.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.22 0.533 . . . . 0.0 109.936 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.7 t -131.99 87.67 2.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.282 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.204 178.7 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -96.45 117.26 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -121.47 97.55 0.62 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.51 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.29 -24.77 64.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.357 0.599 . . . . 0.0 110.101 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 p -121.16 157.64 29.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.642 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 66.7 92.4 0.06 OUTLIER Pre-proline 0 CA--C 1.53 0.208 0 O-C-N 123.704 0.628 . . . . 0.0 110.306 -174.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.89 -169.13 0.73 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.964 2.443 . . . . 0.0 112.9 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.583 HD11 ' SD ' ' A' ' 18' ' ' MET . 15.9 tt -69.59 -4.36 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.263 -174.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -77.13 23.67 0.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.985 -0.447 . . . . 0.0 111.096 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.423 ' H ' ' C ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -73.76 -43.07 60.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -175.421 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -132.14 130.14 21.94 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.559 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.786 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.9 Cg_exo -40.79 -53.03 3.01 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 124.54 3.494 . . . . 0.0 114.73 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -56.92 -38.56 73.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.342 . . . . 0.0 111.51 -175.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.58 65.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.09 0.471 . . . . 0.0 111.098 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.73 74.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.116 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.473 ' HA ' ' HE3' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.46 -38.41 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.28 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 m -59.11 -41.17 87.54 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.622 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.583 ' SD ' HD11 ' A' ' 8' ' ' ILE . 27.7 mtm -58.09 -48.48 80.04 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.589 0.709 . . . . 0.0 109.795 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -51.42 -56.7 11.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.881 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -72.88 -20.89 61.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -176.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.489 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 11.9 m-80 -70.35 -35.96 73.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.05 0.452 . . . . 0.0 110.248 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.95 -42.13 94.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.62 -46.58 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.097 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -68.86 -25.92 64.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.654 -177.157 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.22 -44.97 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.526 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -25.88 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 p -69.65 -41.08 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.561 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -105.26 18.64 21.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.998 0.428 . . . . 0.0 111.331 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -53.25 52.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.031 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.83 -4.77 32.32 Favored Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.583 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG1' HD12 ' A' ' 32' ' ' LEU . 5.5 p -101.9 -31.11 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.696 0.284 . . . . 0.0 111.19 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD12 ' CG1' ' A' ' 31' ' ' VAL . 6.6 mp -80.47 167.53 20.04 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -103.55 163.87 12.02 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.786 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.08 -36.19 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.105 0.479 . . . . 0.0 110.505 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -87.95 23.55 2.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.78 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -134.91 -38.78 0.79 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.318 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.9 ptp -75.38 -25.25 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.196 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -72.34 -37.55 68.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 110.558 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.14 -25.56 66.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.563 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 37' ' ' MET . 71.5 mmm -59.66 -33.59 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.441 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -48.99 75.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptp -76.72 -18.25 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.797 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' HG23 ' A' ' 47' ' ' VAL . 13.0 tmm? -62.99 -43.99 97.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.21 -42.68 99.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.546 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t -68.12 -29.45 68.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.572 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 43' ' ' MET . 58.4 t -65.01 -54.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.644 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -66.52 -25.35 66.64 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.982 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.9 m -63.56 -55.69 21.85 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 120.827 0.346 . . . . 0.0 110.516 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -69.87 -33.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.435 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.786 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 3.0 tmm? -68.14 -53.42 25.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.893 -174.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -66.48 -32.84 74.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.734 0.302 . . . . 0.0 111.203 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -67.05 -8.33 29.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.52 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.8 mtm -69.92 -34.53 73.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.794 0.331 . . . . 0.0 110.36 173.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.19 167.94 13.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.419 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.2 -14.66 25.75 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.982 2.455 . . . . 0.0 112.193 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.57 75.69 16.32 Favored Pre-proline 0 C--N 1.313 -1.008 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.159 -177.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.23 128.51 9.01 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.757 2.304 . . . . 0.0 112.826 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' HD22 ' A' ' 63' ' ' LEU . 60.0 Cg_endo -74.98 167.98 25.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.417 2.078 . . . . 0.0 111.651 175.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -56.41 -35.85 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -68.1 -12.25 60.53 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -92.84 -49.96 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.856 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -57.25 -46.86 82.62 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.325 -176.77 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 5.5 ptt180 -63.86 -34.74 78.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.065 -175.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -80.32 -26.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.989 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 tpt -68.13 -30.92 70.18 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -60.21 -47.17 87.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.0 m -59.14 -37.7 77.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.703 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.35 54.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.1 ttp -67.86 -40.02 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.072 0.463 . . . . 0.0 110.246 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.54 79.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.926 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 76' ' ' GLU . . . -70.09 -43.46 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.704 0.288 . . . . 0.0 110.596 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.5 -40.29 78.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.268 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' HG21 ' A' ' 78' ' ' VAL . 28.5 m -82.87 -30.68 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.321 178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 16.3 mm-40 -59.32 -41.88 90.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.296 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 74' ' ' VAL . 6.3 p -81.77 -27.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.803 -177.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 74' ' ' VAL . 77.1 t -70.81 -32.43 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 176.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -10.74 39.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.816 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -75.26 -18.14 60.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.16 0.505 . . . . 0.0 110.589 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -76.04 123.81 88.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.84 150.8 81.37 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.61 2.207 . . . . 0.0 111.215 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.44 -35.66 36.81 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.188 2.592 . . . . 0.0 113.243 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.62 -26.67 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.911 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 m -116.67 -3.29 11.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.232 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -59.67 -50.66 72.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.464 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 m -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.96 -37.98 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.57 . . . . 0.0 110.288 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.2 t -72.25 -45.47 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.265 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -47.03 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.797 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.11 -36.29 74.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.7 m -67.82 -43.51 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.513 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.8 mm -59.2 -46.69 91.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.509 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.539 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.75 -39.18 97.64 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 113.013 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.52 -47.47 60.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.786 0.327 . . . . 0.0 111.011 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.7 m -63.55 -37.21 86.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -36.74 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.498 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 10.2 mmt180 -59.48 -56.8 17.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.641 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.05 -37.37 81.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.806 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.2 m -54.42 -35.85 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.464 ' SD ' ' HD2' ' A' ' 112' ' ' PHE . 48.0 mtp -69.19 -49.13 59.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.765 0.317 . . . . 0.0 111.582 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.5 ptm -74.96 -26.28 59.48 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.537 -174.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.94 -20.06 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.405 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.55 -66.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.422 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t 177.19 -33.04 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.55 27.42 8.71 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.415 -0.898 . . . . 0.0 114.118 -169.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.8 p 48.86 -164.72 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.98 0.512 . . . . 0.0 111.987 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.02 92.52 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.9 155.33 38.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.809 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.48 HD21 ' H ' ' A' ' 110' ' ' ASN . 0.1 OUTLIER -92.08 -5.97 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.499 -174.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -110.6 -53.71 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.265 -0.272 . . . . 0.0 111.539 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HD2' ' SD ' ' A' ' 101' ' ' MET . 84.2 t80 -56.21 -50.29 71.67 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.079 0.237 . . . . 0.0 111.273 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.451 HG22 ' SD ' ' A' ' 101' ' ' MET . 35.7 p -57.21 -42.5 81.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.289 0.566 . . . . 0.0 110.589 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.7 -49.23 77.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.378 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 42.2 mm-40 -57.09 -51.32 69.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.52 -46.9 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.977 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.1 mmt -57.74 -48.33 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.211 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -61.17 -51.36 69.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 110.628 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.52 -47.86 68.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.551 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.39 -41.05 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.106 0.412 . . . . 0.0 111.094 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.438 ' HB3' ' HZ3' ' A' ' 121' ' ' LYS . 8.6 mtpm? -69.48 -46.2 67.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -77.89 -28.43 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.209 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.22 -9.24 59.57 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.293 -0.255 . . . . 0.0 111.38 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -64.98 1.11 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.894 0.378 . . . . 0.0 110.156 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -164.59 116.22 1.25 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.122 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.84 19.69 4.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.166 0.984 . . . . 0.0 108.68 173.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 m -92.27 23.15 4.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.332 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.15 75.52 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.179 0.514 . . . . 0.0 111.495 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -122.28 131.02 53.71 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.634 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.2 pm0 -72.62 146.08 46.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.848 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.4 p -97.93 132.92 41.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.131 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.8 m -101.53 19.15 18.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.507 -174.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.565 -0.731 . . . . 0.0 109.888 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.909 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m -69.5 -49.04 58.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.178 0.513 . . . . 0.0 110.374 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.3 94.11 1.69 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -94.56 155.41 16.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.709 0.29 . . . . 0.0 110.62 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' HD12 ' A' ' 63' ' ' LEU . 32.1 t -82.01 3.52 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.096 0.474 . . . . 0.0 110.79 -177.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -159.88 93.27 1.7 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 178.163 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -69.67 -70.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.291 1.994 . . . . 0.0 112.328 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.539 HD12 ' SD ' ' A' ' 18' ' ' MET . 19.6 tt -120.03 -13.6 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.392 0.615 . . . . 0.0 110.162 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -82.82 49.6 1.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.561 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.5 p -87.36 -43.75 11.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.866 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -151.68 148.9 22.76 Favored Pre-proline 0 N--CA 1.446 -0.651 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.997 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.854 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 96.0 Cg_exo -41.63 -54.38 2.8 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 124.048 3.166 . . . . 0.0 114.061 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -59.45 -36.35 75.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.349 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -52.33 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 111.594 -176.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.72 -36.57 43.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.528 -173.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.503 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.6 OUTLIER -63.19 -30.56 71.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.739 179.668 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.438 ' CG2' ' HA ' ' A' ' 104' ' ' ALA . 54.5 m -57.44 -54.32 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.367 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.539 ' SD ' HD12 ' A' ' 8' ' ' ILE . 25.3 ptt? -65.09 -36.38 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.68 -177.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -63.9 -44.42 93.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.996 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -70.08 -40.93 74.7 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.167 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.0 m-20 -65.54 -30.12 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.128 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.88 -46.23 90.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.147 0.499 . . . . 0.0 109.914 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.5 t -64.1 -48.44 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.463 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.85 -26.65 67.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.059 -175.145 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.57 -50.85 11.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.993 0.425 . . . . 0.0 110.314 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.48 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.175 -174.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -66.15 -27.53 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 111.304 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -109.09 22.22 16.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 -177.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 p -72.37 -37.15 68.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.12 3.57 75.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -173.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -103.36 -44.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.98 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 HD21 ' OE1' ' A' ' 36' ' ' GLN . 31.6 mt -77.69 -178.68 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.06 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -117.1 166.81 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.023 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -30.59 65.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.486 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.35 -49.71 39.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.492 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 40' ' ' MET . 78.7 mt-30 -60.85 -45.39 94.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.693 -176.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 ptp -64.58 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.12 -38.4 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -66.36 -28.38 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.49 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.53 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.6 mtp -65.87 -27.83 68.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.428 . . . . 0.0 110.036 174.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.75 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.873 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ptp -76.53 -23.89 53.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.04 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' HG21 ' A' ' 47' ' ' VAL . 14.4 tmm? -63.92 -44.5 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 172.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.31 73.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.525 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.53 -32.51 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.257 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 t -69.55 -34.56 74.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 43' ' ' MET . 47.7 t -67.78 -57.3 9.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.25 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' HB3' ' HE1' ' A' ' 16' ' ' MET . 22.8 p30 -66.99 -24.79 66.07 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.716 -175.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -66.24 -47.98 72.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -80.39 -36.76 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.844 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.854 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.0 tmm? -61.52 -47.66 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.631 0.373 . . . . 0.0 111.876 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -68.17 -29.1 67.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -94.27 9.18 39.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.55 -178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.0 ttm -78.35 -24.74 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.11 131.15 7.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.978 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.58 123.86 13.52 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.349 2.033 . . . . 0.0 110.695 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 63.08 71.74 0.63 Allowed Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -168.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.47 164.95 33.73 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 123.343 2.696 . . . . 0.0 113.869 -170.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.73 145.0 50.36 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.117 2.545 . . . . 0.0 112.132 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.09 -42.62 81.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.953 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -67.91 -18.14 64.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.337 . . . . 0.0 111.409 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.36 -23.01 35.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.596 0.236 . . . . 0.0 111.146 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 5' ' ' SER . 59.9 mt -66.69 -51.71 52.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.856 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.31 -25.39 34.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.971 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.19 -25.67 27.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.424 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.6 tpp -78.3 -44.72 24.59 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -173.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -59.98 -32.4 70.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.566 176.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.503 HG21 ' CD2' ' A' ' 119' ' ' LEU . 25.1 m -74.22 -44.65 52.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.132 0.492 . . . . 0.0 110.259 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.32 80.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.107 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.471 ' O ' HG21 ' A' ' 74' ' ' VAL . 39.4 ttp -66.84 -38.56 86.62 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.87 -46.97 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.969 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.5 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.299 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -69.51 -43.1 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.167 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.59 ' O ' HG21 ' A' ' 77' ' ' VAL . 39.9 t -70.72 -25.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.66 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -66.3 -29.48 69.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.173 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 74' ' ' VAL . 8.7 m -82.9 -30.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.069 0.461 . . . . 0.0 110.55 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.482 HG21 ' HZ3' ' A' ' 121' ' ' LYS . 48.2 t -76.1 -21.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.457 0.646 . . . . 0.0 109.994 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.43 -11.56 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.393 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -107.39 23.25 14.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.038 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.5 m -100.98 133.54 20.97 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -64.15 131.31 30.0 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.497 2.131 . . . . 0.0 111.599 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -46.09 -38.17 18.82 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.557 2.838 . . . . 0.0 113.916 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -67.77 -18.03 64.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.853 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 m -124.01 12.68 9.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.04 0.448 . . . . 0.0 110.904 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.02 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -61.83 -30.2 70.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.48 . . . . 0.0 111.495 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.08 -37.34 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.293 0.568 . . . . 0.0 109.924 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 93' ' ' ILE . 89.4 t -70.17 -36.13 66.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.928 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.415 HD23 ' HE2' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -53.18 -56.69 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.72 175.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -68.3 -40.33 81.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.104 -175.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.8 -40.45 79.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.221 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 89' ' ' VAL . 31.6 mm -63.25 -53.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.43 -23.31 75.13 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.032 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.56 -52.66 10.11 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.889 -0.183 . . . . 0.0 111.364 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.98 -32.58 67.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.896 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.31 -40.65 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.469 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -68.01 -45.13 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.545 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.32 -43.39 77.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.257 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.5 p -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.684 0.278 . . . . 0.0 111.059 -177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.0 ttt -62.14 -43.84 97.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.241 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.32 46.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 120.869 0.366 . . . . 0.0 110.387 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.16 -4.78 23.09 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.466 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 17' ' ' THR . . . -76.05 -70.41 0.44 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.785 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.5 t 176.08 -40.59 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.55 ' O ' ' HB2' ' A' ' 107' ' ' SER . . . -67.9 -74.24 0.6 Allowed Glycine 0 C--N 1.333 0.417 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.288 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.55 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 9.0 t 162.85 179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.45 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 3.6 p -107.68 99.35 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.847 0.832 . . . . 0.0 109.697 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.1 140.35 47.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.878 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 114' ' ' ASN . 7.7 p30 -86.05 -9.01 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -172.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.21 -42.15 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.102 0.477 . . . . 0.0 109.856 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 74.0 t80 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.23 176.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 117' ' ' MET . 63.8 p -66.26 -15.72 63.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 110' ' ' ASN . 53.9 t-20 -75.76 -66.22 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.853 178.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.27 -50.87 70.12 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.953 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 120' ' ' VAL . 9.5 p -58.84 -38.82 75.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.848 -175.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.57 ' HB2' ' O ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -57.3 -53.92 52.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -68.59 -45.49 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.503 ' CD2' HG21 ' A' ' 68' ' ' THR . 9.8 mp -63.24 -34.56 77.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 116' ' ' VAL . 43.8 t -60.98 -22.4 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.201 0.524 . . . . 0.0 110.564 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 14.8 mmmt -95.37 -51.1 4.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 0.0 110.096 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 55.9 ttp -60.65 -43.4 97.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.75 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.2 mt -79.31 0.86 27.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.134 0.492 . . . . 0.0 110.493 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -104.56 -64.45 1.11 Allowed 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -175.91 112.33 0.11 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.279 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -101.39 11.48 39.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.143 0.973 . . . . 0.0 109.034 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.7 m -88.97 14.62 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.288 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.96 84.03 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.305 -175.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -119.66 132.31 55.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.475 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.79 148.24 47.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.275 -178.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.0 p 44.9 41.0 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 O-C-N 124.391 1.057 . . . . 0.0 111.504 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.2 m -75.12 80.07 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.231 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.162 179.416 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m 72.39 -49.72 0.69 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.581 0.752 . . . . 0.0 112.562 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -156.97 138.93 6.14 Favored Glycine 0 CA--C 1.511 -0.177 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.385 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -157.2 156.64 32.94 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -75.06 -6.37 49.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.385 0.612 . . . . 0.0 110.946 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -124.65 81.74 60.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.113 173.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -74.36 -80.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.521 2.147 . . . . 0.0 113.253 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 tp -119.0 -33.85 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.715 0.293 . . . . 0.0 111.279 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.491 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 71.7 m95 -81.46 64.99 6.4 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -120.38 -35.3 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.522 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -137.62 124.71 13.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.06 -176.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.751 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 93.1 Cg_exo -44.12 -43.72 12.74 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.658 2.905 . . . . 0.0 113.726 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -80.45 7.82 8.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.439 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.8 -40.46 3.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.474 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.43 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.498 ' HA ' ' HE1' ' A' ' 16' ' ' MET . 0.2 OUTLIER -59.89 -30.32 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.4 m -56.72 -55.94 27.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.386 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -29.05 67.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.15 -176.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.413 ' HB ' ' HE1' ' A' ' 16' ' ' MET . 28.4 m -66.03 -50.1 65.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 111.131 177.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -72.73 -32.9 66.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.562 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.7 m-20 -65.25 -32.77 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.411 . . . . 0.0 110.275 176.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -45.74 91.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.02 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.32 -47.33 93.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 8.2 pt20 -70.45 -31.36 68.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.866 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.36 -45.77 68.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.183 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.05 -24.77 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.805 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.62 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 8.4 t -73.91 -10.76 59.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.48 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -115.13 20.18 15.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.1 p -81.51 -42.91 19.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 111.213 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.26 80.43 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.27 -45.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.101 -0.55 . . . . 0.0 110.186 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.38 139.48 45.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.474 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -82.75 169.53 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.607 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -30.22 66.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.938 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -90.17 0.42 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.406 -174.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 74.2 mtm -108.78 -0.62 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.723 173.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.5 -43.16 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -68.4 -32.97 73.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.147 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.411 ' SD ' HG21 ' A' ' 77' ' ' VAL . 57.3 mmm -60.89 -36.68 79.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.438 . . . . 0.0 110.576 172.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.66 -50.01 56.59 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.08 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -71.04 -20.9 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.409 ' O ' HG21 ' A' ' 47' ' ' VAL . 15.5 tmm? -67.6 -45.35 75.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.57 76.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.99 0.424 . . . . 0.0 110.562 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -17.78 64.91 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.607 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 t -92.66 -32.5 14.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.238 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 43' ' ' MET . 57.3 t -62.85 -49.35 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.039 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 13.9 p30 -68.43 -27.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.267 -0.173 . . . . 0.0 111.118 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.6 t -59.28 -42.17 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 110.091 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -81.28 -36.42 29.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.021 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.751 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 17.5 tmm? -70.12 -33.65 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.471 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.1 -25.0 61.57 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.547 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -81.57 -5.21 57.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.271 175.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.491 ' SD ' ' HB3' ' A' ' 9' ' ' TRP . 46.3 ttm -81.87 -57.12 3.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.872 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.45 164.32 30.67 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.821 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.28 134.3 12.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.744 2.296 . . . . 0.0 112.071 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 57.57 60.7 6.46 Favored Pre-proline 0 N--CA 1.469 0.495 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.078 -173.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -86.89 170.59 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.031 2.487 . . . . 0.0 113.236 -171.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.6 136.28 21.07 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.192 1.928 . . . . 0.0 111.449 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -64.54 -16.63 62.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -68.02 -21.47 65.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.21 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 66' ' ' MET . 23.8 mmt85 -78.53 -37.57 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.503 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -57.63 -37.72 73.79 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.79 -32.92 62.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.731 0.301 . . . . 0.0 111.516 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.471 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 93.3 mmm -67.58 -30.66 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -58.61 -51.28 70.57 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.41 HG21 ' CD1' ' A' ' 119' ' ' LEU . 83.0 m -67.22 -44.02 80.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.09 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.54 80.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.797 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.437 ' O ' HG21 ' A' ' 74' ' ' VAL . 41.0 ttp -68.0 -41.69 81.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.165 -176.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.76 71.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.23 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.16 -31.09 67.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 77' ' ' VAL . 84.3 t -68.46 -39.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 0.0 110.081 173.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.75 -30.4 69.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.999 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.76 -43.99 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.305 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 74' ' ' VAL . 5.1 m -75.84 -21.39 15.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.233 0.539 . . . . 0.0 110.477 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 74' ' ' VAL . 52.6 t -80.16 -33.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -18.93 65.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.2 m -75.79 -11.91 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.203 0.525 . . . . 0.0 110.675 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 m -86.16 131.57 46.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -63.21 147.79 93.65 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.543 2.162 . . . . 0.0 111.11 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.93 -34.11 36.08 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.216 2.61 . . . . 0.0 113.29 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.83 -39.64 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 111.615 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m -98.13 -5.03 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.11 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.85 -47.17 74.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.429 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -58.98 -35.75 73.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.479 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.52 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 0.0 110.324 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 93' ' ' ILE . 84.6 t -72.46 -45.58 59.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.327 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -57.88 -48.29 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.12 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.68 -36.35 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.033 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.3 m -65.07 -41.21 95.29 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.756 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.5 mm -55.76 -53.94 31.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.226 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.13 92.74 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.65 85.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 0.0 111.278 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 88.0 m -75.2 -30.23 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 1.7 tm? -64.3 -50.13 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.411 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -59.67 -45.68 91.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.727 -176.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -59.7 -57.99 10.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.053 0.454 . . . . 0.0 111.054 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 m -50.9 -42.79 59.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.897 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 45.1 mmm -54.73 -53.38 55.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.908 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.1 ptm -78.1 -31.13 49.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.492 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.4 -20.18 66.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.526 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -67.67 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.526 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 165.02 -26.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.34 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.97 23.36 26.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.492 -172.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.9 p 52.75 -175.54 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.265 0.626 . . . . 0.0 111.722 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.0 p -110.69 99.15 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 121.686 0.755 . . . . 0.0 110.31 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.86 148.99 43.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.606 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.63 -44.58 49.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.383 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.88 83.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.667 0.27 . . . . 0.0 111.019 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -59.66 -45.97 90.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.254 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.1 p -64.49 -37.51 87.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.65 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -70.55 -37.89 74.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.538 0.209 . . . . 0.0 110.773 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -55.91 -55.22 35.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.895 173.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.83 -49.34 81.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.287 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.4 mmt -74.46 -1.73 22.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -175.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -108.1 -50.58 3.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' A' ' 68' ' ' THR . 3.2 mm? -63.87 -41.21 97.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -177.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.43 -33.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -79.71 -46.68 16.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.053 0.454 . . . . 0.0 110.273 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.17 -36.1 82.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.382 -176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -89.92 10.11 25.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.665 0.269 . . . . 0.0 111.536 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.8 p -124.67 -62.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . 177.1 100.07 0.02 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.66 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -85.57 63.23 7.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.1 0.952 . . . . 0.0 109.924 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.6 m -113.94 -0.02 14.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.077 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.03 82.53 8.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.222 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -104.74 131.74 51.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.715 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.439 ' H ' ' CD ' ' A' ' 130' ' ' GLU . 1.1 pm0 -78.26 71.38 4.73 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.686 0.755 . . . . 0.0 110.57 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.42 127.46 57.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.248 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.9 m -92.8 -15.29 26.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.695 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 51.5 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.624 179.727 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -156.16 146.73 21.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.667 0.27 . . . . 0.0 110.407 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -118.38 -85.47 1.03 Allowed Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -70.89 106.72 3.72 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.494 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 4.0 p -80.16 150.65 30.11 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -170.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -98.52 85.45 0.41 Allowed Pre-proline 0 N--CA 1.444 -0.749 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 166.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 5' ' ' SER . 27.0 Cg_endo -64.46 -80.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.204 2.603 . . . . 0.0 114.799 -164.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.644 HG12 ' SD ' ' A' ' 18' ' ' MET . 8.6 tp -146.68 -27.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -168.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.485 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . 94.8 m95 -76.99 30.1 0.13 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.124 -0.36 . . . . 0.0 110.928 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.457 ' H ' ' C ' ' A' ' 8' ' ' ILE . 1.6 m -79.81 -43.34 22.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.329 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -147.67 152.6 41.68 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.387 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.03 -52.8 5.93 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.923 3.082 . . . . 0.0 113.654 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.2 7.15 2.94 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.562 0.696 . . . . 0.0 111.288 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.77 -56.59 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.196 0.522 . . . . 0.0 110.006 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.62 -46.0 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.041 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.632 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -65.41 -43.66 89.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.398 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -53.02 -48.98 67.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.033 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.644 ' SD ' HG12 ' A' ' 8' ' ' ILE . 13.7 ptt? -64.58 -34.49 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.374 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 18' ' ' MET . 43.6 m -62.35 -53.63 52.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.842 -176.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -74.83 -25.63 59.14 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.644 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.519 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 55.0 m-20 -66.62 -33.92 76.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.212 0.529 . . . . 0.0 110.094 173.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.2 -38.8 91.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.59 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.43 -47.12 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.911 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.82 -34.03 77.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 -177.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -72.13 -41.92 66.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.358 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.15 69.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -68.31 -41.9 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.55 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -102.0 25.6 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.119 0.485 . . . . 0.0 110.21 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 p -74.07 -42.1 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.844 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.42 4.81 59.38 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -173.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.25 -61.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.519 -0.341 . . . . 0.0 110.418 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.11 148.66 47.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.5 p -87.75 168.88 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.707 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.19 -30.05 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.169 0.509 . . . . 0.0 110.458 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -53.89 12.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.669 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -64.79 -35.39 80.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.698 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 ptp -71.69 -19.64 62.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.217 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.82 -34.03 57.93 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.051 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -63.62 -34.69 78.38 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.62 -40.59 88.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.483 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.56 -39.98 97.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.037 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtm -68.09 -37.05 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.419 ' O ' HG21 ' A' ' 47' ' ' VAL . 14.2 tmm? -61.5 -48.61 80.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.141 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.81 -40.61 95.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.702 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 23.3 t -67.94 -40.65 83.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.338 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 43' ' ' MET . 86.4 t -58.26 -47.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.376 -175.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.632 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 8.9 p30 -67.38 -31.78 72.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.384 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -67.67 -46.85 71.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' SER . 75.4 mt-30 -62.13 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.916 179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.36 -45.98 90.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.37 -29.04 63.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.228 -177.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -78.16 -21.05 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.444 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.697 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 53.4 ttp -70.37 -30.95 68.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 170.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 121.89 150.5 8.26 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.52 173.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.76 18.12 0.64 Allowed 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.026 2.484 . . . . 0.0 111.617 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -166.7 69.09 1.04 Allowed Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 114.64 -1.164 . . . . 0.0 107.868 -177.686 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.403 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 16.7 Cg_exo -68.89 139.44 43.32 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.516 2.81 . . . . 0.0 113.805 -170.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -67.86 143.57 61.51 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.125 1.883 . . . . 0.0 110.906 171.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -53.48 -37.45 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -69.64 -20.23 63.6 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.545 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.697 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 15.1 mmt180 -74.57 -32.86 62.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.885 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 9' ' ' TRP . 9.1 mp -63.01 -34.13 76.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 178.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.584 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.3 mpt_? -86.64 4.32 40.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.566 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.64 -15.26 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.595 173.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 86.6 mmm -89.59 -19.82 24.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.121 0.486 . . . . 0.0 110.703 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -55.24 -56.29 21.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -64.69 -37.2 86.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.27 8.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.218 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.428 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.0 tmm? -67.85 -45.87 73.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.214 -178.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.75 67.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.591 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.09 -48.53 73.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.315 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.03 -26.1 63.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.142 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 70' ' ' MET . 93.8 t -74.75 -44.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 109.925 172.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 120' ' ' VAL . . . -59.52 -30.56 68.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.439 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.04 -38.66 79.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.228 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.76 -33.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 t -80.51 -16.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.143 -177.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.35 29.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.968 0.414 . . . . 0.0 111.785 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 m -101.09 5.08 42.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.37 0.605 . . . . 0.0 110.382 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 m -100.75 117.45 62.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.409 ' HG3' ' HA ' ' A' ' 131' ' ' VAL . 39.0 Cg_exo -61.35 146.6 97.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.848 2.365 . . . . 0.0 111.798 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -40.41 -44.87 4.34 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.127 3.218 . . . . 0.0 114.291 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -53.59 -51.1 64.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.275 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -89.08 -22.76 22.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.617 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.419 ' OH ' ' HA ' ' A' ' 121' ' ' LYS . 61.7 t80 -52.99 -45.15 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.219 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.24 -31.89 70.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.478 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.47 -37.15 57.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.12 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.3 t -69.31 -45.85 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.036 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -48.34 81.99 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.894 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.25 -37.73 81.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.843 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.8 m -61.35 -47.84 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.486 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.2 mm -57.32 -51.95 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.299 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.35 99.58 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.797 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.648 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -67.68 -53.53 26.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.669 0.271 . . . . 0.0 110.981 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.57 -37.74 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.122 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.17 -46.27 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.949 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 29.2 ptt180 -62.44 -37.74 87.05 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.273 0.558 . . . . 0.0 110.542 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.5 mm-40 -68.59 -49.6 58.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.764 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.405 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 70.2 m -54.14 -41.64 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -175.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.518 ' SD ' ' HA ' ' A' ' 108' ' ' VAL . 1.7 ptp -67.75 -38.76 83.91 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.686 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 14.2 ptm -76.85 -26.08 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.175 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.13 -21.99 60.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.117 0.484 . . . . 0.0 110.48 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.56 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.88 -62.58 1.65 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.166 175.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 164.68 -18.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.929 -177.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.99 0.56 66.12 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.648 -173.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m 62.34 -164.12 0.25 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -176.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.518 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 19.1 t -108.3 101.72 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.24 125.24 34.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.761 177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -82.5 -1.53 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.55 -49.95 4.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -48.67 80.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 p -58.4 -44.19 88.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.324 0.583 . . . . 0.0 110.608 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -66.5 -38.01 86.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.647 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.59 -52.32 46.7 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 123.019 0.528 . . . . 0.0 110.731 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.6 t -61.69 -41.94 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.407 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 0.0 OUTLIER -55.51 -51.65 66.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 122.597 0.359 . . . . 0.0 111.26 -178.422 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.83 -49.08 76.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.479 -177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.4 t -59.89 -46.34 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 110.576 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.419 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 57.3 mtpt -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.455 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.3 ttp -75.28 -39.21 59.91 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.264 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.5 mt -87.12 5.62 36.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.812 0.339 . . . . 0.0 111.249 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -110.7 -61.01 1.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.031 0.443 . . . . 0.0 110.891 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -83.21 93.23 7.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.886 0.851 . . . . 0.0 111.212 -174.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -138.12 90.5 2.48 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.139 -1.391 . . . . 0.0 108.839 174.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.1 t 70.71 6.62 5.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.725 -177.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.94 93.66 2.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.048 0.451 . . . . 0.0 110.372 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -125.16 -13.8 6.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.04 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -78.54 152.13 32.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.707 -171.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.409 ' HA ' ' HG3' ' A' ' 82' ' ' PRO . 3.1 t -83.65 32.26 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.453 -178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.8 t 63.47 23.36 13.64 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.084 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.717 -179.168 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m 63.33 24.09 14.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.958 0.409 . . . . 0.0 111.351 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.96 -39.48 2.49 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -79.87 162.11 25.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.986 0.422 . . . . 0.0 110.531 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 14.7 m -85.67 -2.32 58.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.877 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -109.54 93.47 14.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.762 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 5' ' ' SER . 35.3 Cg_endo -92.16 -73.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.914 2.409 . . . . 0.0 114.41 -172.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.467 HG12 ' SD ' ' A' ' 18' ' ' MET . 7.9 tp -130.59 -30.88 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -172.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -82.07 25.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.351 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 8' ' ' ILE . 15.9 m -61.77 -48.54 80.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.407 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -143.21 150.98 54.08 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.83 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 82.2 Cg_exo -44.26 -50.74 7.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.935 3.09 . . . . 0.0 114.097 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -56.98 -43.77 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.29 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.064 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -69.39 -44.89 70.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.391 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.497 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -65.21 -30.54 71.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.984 -177.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -51.35 70.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.185 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.9 ptt? -65.66 -35.68 81.48 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.843 -177.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -63.12 -45.08 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -67.31 -45.68 75.76 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 3.7 m-20 -63.8 -29.36 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.222 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.17 -44.72 94.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 109.957 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -47.22 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.3 pp0? -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.795 0.331 . . . . 0.0 110.603 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.19 -46.16 61.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.101 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.26 -22.24 65.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -70.7 -32.8 70.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.105 0.478 . . . . 0.0 110.385 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -97.95 12.74 33.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.378 -175.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -69.46 -42.69 74.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.981 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.67 3.6 88.1 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.06 -39.42 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.058 -0.571 . . . . 0.0 110.443 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.0 mt -83.73 168.25 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.545 ' O ' ' HG3' ' A' ' 37' ' ' MET . 12.6 p -94.84 167.32 11.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.539 177.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.154 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.16 -40.33 62.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.205 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.51 -38.01 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.486 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' A' ' 33' ' ' THR . 42.9 mtt -66.78 -37.18 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 110.089 175.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.64 -46.64 84.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.265 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.79 -38.79 86.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.423 ' O ' ' HE1' ' A' ' 43' ' ' MET . 78.8 mmm -59.24 -36.02 74.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.502 175.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -40.08 62.06 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.773 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.0 ptp -75.73 -30.14 59.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.809 0.305 . . . . 0.0 111.671 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -74.81 -25.33 58.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.16 -176.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.85 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.59 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.37 -25.97 63.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.5 t -78.24 -33.92 49.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 43' ' ' MET . 54.6 t -64.22 -57.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.018 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 14.8 p30 -67.69 -27.56 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 33.1 t -62.52 -55.27 28.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.23 -29.44 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.307 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.83 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.9 tmm? -68.17 -33.39 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.57 -21.65 57.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.5 mmtt -80.26 -15.44 56.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.388 0.614 . . . . 0.0 109.583 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.487 ' SD ' ' HG3' ' A' ' 58' ' ' PRO . 35.6 ttm -70.73 -56.3 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.18 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.09 143.75 15.52 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.233 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.9 141.52 94.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.767 2.311 . . . . 0.0 112.122 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 55.29 67.19 3.26 Favored Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.577 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 42.4 Cg_endo -96.5 172.85 0.9 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.209 2.606 . . . . 0.0 113.632 -173.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.8 150.77 31.01 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.841 2.361 . . . . 0.0 111.252 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.426 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 13.4 pt20 -66.39 -20.44 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.18 -23.94 67.24 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.792 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.494 ' O ' ' HG2' ' A' ' 66' ' ' MET . 24.2 mmt180 -73.45 -40.86 63.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.218 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.09 -41.73 99.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.085 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 12.1 mpt_? -74.55 0.26 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.503 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -111.6 -18.84 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.716 176.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.2 mmm -87.15 -27.67 22.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.362 -175.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 10.8 p30 -51.53 -46.14 63.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.356 172.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 19.7 m -76.24 -35.91 58.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.573 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.51 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.347 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.5 ttp -87.36 -43.31 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.258 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.16 -47.37 62.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.097 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.9 81.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.734 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.9 mm-40 -72.59 -44.3 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.933 0.396 . . . . 0.0 110.511 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.493 ' O ' HG21 ' A' ' 77' ' ' VAL . 58.1 t -65.5 -31.72 55.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.68 64.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.523 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.95 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.348 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 74' ' ' VAL . 23.4 m -70.79 -31.71 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.348 . . . . 0.0 110.552 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.8 t -72.92 -39.83 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.156 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.4 -22.38 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.957 0.408 . . . . 0.0 111.405 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 m -91.34 3.27 55.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.418 0.628 . . . . 0.0 110.358 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -94.29 120.69 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.46 151.42 70.8 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.744 2.296 . . . . 0.0 112.529 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.69 86.44 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.114 2.543 . . . . 0.0 112.83 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -164.04 -38.18 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.055 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 89' ' ' VAL . 31.3 t -134.1 25.24 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.027 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.423 ' HB3' ' OE1' ' A' ' 130' ' ' GLU . 36.6 t80 -68.2 -49.4 61.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.307 -174.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -62.38 -29.17 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.84 78.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 0.0 110.223 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 85' ' ' SER . 73.6 t -60.05 -48.73 86.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.414 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.7 mt -62.62 -41.34 98.96 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.714 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -65.82 -34.47 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.531 0.205 . . . . 0.0 111.042 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.8 m -61.08 -52.83 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.364 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.4 mm -58.99 -46.79 91.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.588 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.49 -29.96 75.01 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.539 -176.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.98 -49.21 7.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.641 0.257 . . . . 0.0 111.006 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.3 m -58.95 -36.76 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.587 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.75 -38.04 86.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 110.159 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 63.4 mtt180 -66.35 -52.9 42.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 100' ' ' SER . 5.4 pt-20 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.888 0.375 . . . . 0.0 110.803 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.0 m -57.46 -36.09 70.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.53 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 83.0 mtp -67.77 -45.08 75.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ptm -79.95 -11.89 59.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.388 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -18.98 40.27 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 171.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.461 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -84.08 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.816 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 171.87 -19.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.624 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.91 6.06 84.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.646 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.2 m 57.62 -168.36 0.12 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.907 0.353 . . . . 0.0 110.851 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.24 92.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.61 152.71 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.643 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -87.72 -16.81 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.7 -51.37 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.458 -175.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.91 -38.59 91.6 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.0 p -70.21 -8.58 51.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.433 0.635 . . . . 0.0 110.952 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.85 -43.38 4.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.903 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.51 -53.81 53.04 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.706 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.539 ' O ' HG21 ' A' ' 120' ' ' VAL . 8.6 p -63.41 -36.87 77.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 71.9 mmm -65.33 -48.44 73.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.1 -43.04 66.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.282 0.563 . . . . 0.0 110.183 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.91 -47.21 63.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.539 HG21 ' O ' ' A' ' 116' ' ' VAL . 59.8 t -54.53 -56.53 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.722 0.296 . . . . 0.0 110.459 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -53.65 -43.05 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.365 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -81.75 -29.78 32.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.335 -174.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.65 -6.56 59.13 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.33 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -92.18 -48.49 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.509 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -155.31 145.77 22.04 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -77.28 70.97 3.73 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.794 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.9 t 67.66 25.98 8.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.662 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.53 40.83 0.68 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.609 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -91.73 135.4 33.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.344 0.592 . . . . 0.0 110.75 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -91.09 80.84 5.63 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.521 177.103 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.04 145.01 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.122 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 22.2 m 63.55 33.12 13.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.323 0.582 . . . . 0.0 110.277 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.341 -0.838 . . . . 0.0 110.71 -179.003 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -87.35 -39.41 15.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.771 0.319 . . . . 0.0 110.594 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.69 37.84 0.72 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.974 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -76.07 164.93 25.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 110.236 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -79.15 83.65 5.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.091 0.472 . . . . 0.0 111.708 -175.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.405 ' HA ' HE21 ' A' ' 6' ' ' GLN . 0.1 OUTLIER -152.55 86.38 4.32 Favored Pre-proline 0 N--CA 1.445 -0.701 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 174.287 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -87.56 -171.29 0.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.776 2.318 . . . . 0.0 113.037 -176.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.46 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.7 tt -75.25 -14.04 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.251 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -72.59 -8.97 57.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.107 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.6 m -74.01 -14.36 61.01 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.999 0.428 . . . . 0.0 111.318 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -132.21 112.59 14.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.662 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 58.6 Cg_exo -51.41 -41.62 58.77 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.379 2.719 . . . . 0.0 112.983 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -83.74 18.01 2.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.782 0.801 . . . . 0.0 110.658 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.0 -47.59 1.78 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.697 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.233 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.656 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.4 mmt -70.69 -29.53 65.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.749 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.1 m -61.32 -49.71 75.87 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.714 0.292 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.46 ' SD ' HD13 ' A' ' 8' ' ' ILE . 24.0 ptt? -64.83 -37.3 87.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.474 HG21 HG22 ' A' ' 47' ' ' VAL . 56.3 m -65.69 -49.44 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.497 -176.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -66.94 -36.9 83.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.573 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 91.9 m-20 -70.02 -31.44 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 110.814 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.11 -40.9 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 109.878 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.19 -43.44 84.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.083 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.2 pp0? -69.35 -37.76 77.81 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.685 -177.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.6 t -67.35 -46.06 74.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -28.09 67.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.187 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 t -68.48 -30.6 69.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.018 0.437 . . . . 0.0 110.694 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -108.29 19.19 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -176.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.12 -40.83 71.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.92 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 9.15 82.77 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.18 -44.16 6.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.432 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.35 178.07 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.227 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' A' ' 37' ' ' MET . 13.4 t -112.72 168.52 9.61 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.9 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.17 72.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.4 -33.71 65.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -70.73 -23.56 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 33' ' ' THR . 54.6 mtt -71.15 -24.39 62.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.55 -38.14 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 42' ' ' MET . 38.7 m-20 -58.01 -47.93 81.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.49 0.662 . . . . 0.0 109.423 173.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.413 ' O ' ' HE3' ' A' ' 43' ' ' MET . 89.0 mmm -56.04 -40.28 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.395 176.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.17 -41.11 54.61 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.5 ptp -69.01 -34.07 74.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.811 0.306 . . . . 0.0 111.439 -175.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.413 ' HE3' ' O ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -77.81 -31.17 51.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.842 -177.783 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.515 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . . . -75.17 -4.18 37.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -87.93 -43.66 11.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.282 0.563 . . . . 0.0 109.827 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -72.15 -32.36 66.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.003 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.515 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 11.2 m -59.19 -49.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.656 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 9.7 p30 -69.91 -31.83 69.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.048 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -63.04 -41.63 99.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.076 0.465 . . . . 0.0 110.209 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.409 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 50.9 mt-30 -80.91 -37.55 29.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.283 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.662 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 9.8 tmm? -66.1 -39.52 90.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.71 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -70.73 -28.78 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.285 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' A' ' 50' ' ' GLN . 64.6 pttt -88.19 -0.71 57.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.706 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.8 ttm -70.13 -38.06 75.45 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 104.31 153.74 22.91 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.499 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.36 26.29 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.772 2.314 . . . . 0.0 112.15 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -163.11 84.02 1.44 Allowed Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.805 -177.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.15 124.12 12.16 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.922 2.415 . . . . 0.0 113.403 -171.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.77 47.79 2.64 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.936 2.424 . . . . 0.0 112.483 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 63.54 -74.21 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -57.32 -22.59 43.06 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.12 -19.93 59.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 112.1 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.5 mt -77.25 -41.98 38.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -177.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 19.1 ptt-85 -70.36 -14.1 62.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.1 -51.89 5.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.7 mtp -70.84 -27.29 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 11.5 p30 -63.42 -38.43 91.11 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.763 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 m -76.2 -29.13 57.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.512 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.93 -53.5 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.061 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -68.27 -43.98 76.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.059 0.456 . . . . 0.0 110.351 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.65 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.678 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.02 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.53 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mm-40 -76.09 -36.28 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.005 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.3 m -78.37 -17.29 13.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.66 -46.59 88.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.685 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.96 -27.33 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.905 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.431 HG13 ' CE2' ' A' ' 86' ' ' TYR . 39.4 t -71.93 -40.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.021 178.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.5 m -66.8 -20.1 65.88 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.803 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.5 m -83.78 135.03 43.36 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.067 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 84' ' ' GLN . 17.1 Cg_exo -67.79 153.1 76.62 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.695 2.263 . . . . 0.0 112.272 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.508 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 17.1 Cg_exo -69.57 25.6 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.536 2.824 . . . . 0.0 113.136 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 82' ' ' PRO . 77.9 mt-30 -121.21 -6.18 9.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.473 0.654 . . . . 0.0 109.497 175.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -138.36 15.35 2.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.125 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' CE2' HG13 ' A' ' 78' ' ' VAL . 56.8 t80 -75.44 -47.77 25.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.295 -169.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -65.41 -29.05 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.534 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.21 85.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 93' ' ' ILE . 73.9 t -67.59 -42.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.048 177.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' HE2' ' A' ' 121' ' ' LYS . 3.1 tt -57.96 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.417 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.95 -37.31 86.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.8 m -59.64 -55.52 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.804 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.0 mm -56.23 -41.25 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -46.99 77.42 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.808 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.03 91.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.629 0.252 . . . . 0.0 110.964 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 75.4 m -76.77 -0.33 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.99 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.18 -33.84 9.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -63.94 -64.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.379 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -63.73 -35.73 81.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.755 -177.173 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.6 m -63.33 -35.44 80.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.713 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.8 ttt -63.82 -50.04 70.49 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.716 0.293 . . . . 0.0 111.017 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.0 ptp -71.34 -23.76 61.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.835 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 2.1 tp-100 -66.51 -26.01 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.227 0.536 . . . . 0.0 109.703 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.486 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.04 -63.19 1.45 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.787 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.0 t 169.84 -24.11 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.98 24.06 9.69 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.972 -171.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.8 p 47.91 -148.44 0.19 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.772 0.429 . . . . 0.0 110.708 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.87 101.13 11.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.33 144.77 35.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -81.96 -19.45 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.696 -172.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.68 -48.09 4.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.081 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -60.27 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.59 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.3 p -60.75 -41.64 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.209 0.528 . . . . 0.0 110.583 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.43 -39.74 89.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.046 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.24 -47.81 80.88 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 123.201 0.6 . . . . 0.0 110.8 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.602 ' O ' HG21 ' A' ' 120' ' ' VAL . 99.1 t -57.6 -48.21 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.608 ' O ' ' HD2' ' A' ' 121' ' ' LYS . 19.7 mmt -56.2 -52.88 62.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.1 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -54.78 -51.46 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.587 0.555 . . . . 0.0 111.024 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.02 -49.28 78.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.774 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.602 HG21 ' O ' ' A' ' 116' ' ' VAL . 67.9 t -59.56 -47.76 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.174 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.608 ' HD2' ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -62.96 -48.05 80.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.3 178.469 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 9.8 tmm? -65.86 -29.16 69.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.804 -176.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.08 9.57 30.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.9 p -131.3 -61.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -163.52 108.78 1.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.188 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -82.93 -5.2 58.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.655 0.74 . . . . 0.0 110.231 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.8 m -79.48 35.87 0.29 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.001 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.96 85.12 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.213 0.53 . . . . 0.0 111.357 -176.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -116.18 -58.01 2.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.37 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 83' ' ' PRO . 39.1 tt0 62.19 89.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.588 176.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 11.7 p -125.25 138.99 52.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.0 p -87.57 13.78 9.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.17 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 33.0 p . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.455 177.749 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.588 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.3 tt . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.484 ' HB2' HD22 ' A' ' 63' ' ' LEU . 59.0 m95 -74.13 73.79 1.74 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -132.64 -7.4 3.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.742 0.782 . . . . 0.0 109.96 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -155.32 120.92 2.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.674 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.89 -47.09 22.51 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.27 2.646 . . . . 0.0 113.121 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.49 94.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.841 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.412 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -68.07 -50.84 52.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.06 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.486 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.484 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -67.91 -26.59 66.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.842 177.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 53.1 m -61.82 -53.19 59.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.516 0.198 . . . . 0.0 110.891 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.588 ' SD ' HD13 ' A' ' 8' ' ' ILE . 22.4 ptt? -61.72 -37.49 84.39 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.603 -178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -63.18 -43.15 99.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.618 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.39 -39.79 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.778 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 90.1 m-20 -61.69 -35.65 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.762 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.92 -49.57 76.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.2 -45.24 96.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.026 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.5 pp0? -66.69 -33.22 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.612 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -68.57 -49.06 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.333 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -71.53 -27.87 63.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.498 -176.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -68.65 -23.88 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.091 0.472 . . . . 0.0 110.765 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -108.2 19.66 19.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -79.4 -39.07 33.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.93 2.48 88.43 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -96.71 -43.45 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.421 -0.39 . . . . 0.0 111.044 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 26' ' ' ALA . 79.5 mt -74.97 164.66 26.32 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.379 0.609 . . . . 0.0 111.56 -175.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -90.13 171.97 9.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.225 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -31.26 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.94 -48.85 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.871 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 40' ' ' MET . 75.8 mt-30 -61.74 -40.16 94.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.194 -176.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.3 mtm -67.72 -25.14 65.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.716 0.294 . . . . 0.0 111.213 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.59 -32.87 17.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.175 0.512 . . . . 0.0 109.944 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 42' ' ' MET . 10.2 t70 -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.883 176.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 87.2 mtp -65.73 -25.8 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.827 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.38 -49.43 56.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.709 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.4 ptp -69.99 -24.75 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.32 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.49 ' SD ' HG22 ' A' ' 74' ' ' VAL . 39.4 ttp -67.24 -49.27 65.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.896 174.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.37 83.28 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.648 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -59.27 -41.49 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.467 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 47.7 t -63.72 -38.77 92.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.496 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 43' ' ' MET . 59.1 t -60.39 -52.59 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.828 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -68.08 -24.58 65.07 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.318 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -66.04 -50.74 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.908 0.385 . . . . 0.0 109.994 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 46' ' ' SER . 19.4 pt20 -77.95 -22.8 48.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.869 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -66.69 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -74.17 -17.6 60.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 0.0 110.564 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 9.2 mmpt? -93.43 4.27 54.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.134 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.642 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 50.0 ttm -73.4 -38.35 65.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.647 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.43 154.07 18.88 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.737 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.76 131.75 30.34 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.784 2.323 . . . . 0.0 111.497 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 58.54 80.15 0.29 Allowed Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 -170.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.642 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 72.7 Cg_exo -51.23 114.13 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.778 2.985 . . . . 0.0 113.903 -171.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.65 139.27 27.87 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.582 2.188 . . . . 0.0 111.464 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.419 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 14.0 pt20 -64.22 -21.81 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -69.18 -18.34 63.91 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.396 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -88.26 -34.94 17.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.259 0.552 . . . . 0.0 109.718 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 9' ' ' TRP . 41.6 mt -68.11 -35.37 78.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.17 -175.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 60' ' ' GLN . 3.4 mpt_? -69.86 -17.85 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.06 -34.06 11.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.7 tpp -63.15 -40.81 98.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.324 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -58.08 -35.8 71.92 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.658 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -76.64 -37.31 56.54 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.357 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.17 82.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.745 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 74' ' ' VAL . 32.2 ttm -59.7 -52.99 63.13 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 109.752 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.55 -42.39 67.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.996 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.19 79.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.16 -31.46 25.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.008 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 70' ' ' MET . 70.9 t -67.45 -35.5 73.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 110.038 172.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -31.55 67.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.464 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.3 -44.92 92.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.505 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.96 -43.41 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.331 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -73.58 -33.63 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.049 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 -13.85 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.069 0.462 . . . . 0.0 111.312 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.7 m -84.77 -4.63 59.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.437 0.636 . . . . 0.0 110.204 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -91.19 137.45 26.31 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.994 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.68 158.53 53.2 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.482 2.121 . . . . 0.0 110.634 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.52 -26.62 46.21 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.877 2.385 . . . . 0.0 112.862 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -67.02 -44.05 81.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.164 0.507 . . . . 0.0 110.844 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -97.86 -12.66 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.621 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -50.92 -50.34 57.79 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.801 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -61.48 -37.18 82.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.654 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.03 -34.64 64.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.125 0.488 . . . . 0.0 110.522 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.71 -47.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.001 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -59.83 -42.25 93.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.052 178.759 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.6 -42.77 88.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.978 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.38 -50.45 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.1 mm -59.14 -48.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.956 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.75 73.22 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 113.38 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.82 -54.75 4.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.609 0.242 . . . . 0.0 110.809 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.5 m -60.58 -36.24 78.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.873 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.42 -40.76 95.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 109.879 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -65.6 -49.65 67.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.236 0.541 . . . . 0.0 110.589 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -54.55 -55.78 25.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.563 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -57.23 -36.22 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.892 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.6 mmm -54.69 -51.95 63.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 111.299 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.6 ptm -78.4 -27.15 46.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.414 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -75.31 -3.75 35.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.462 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.53 -68.11 0.74 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.445 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.7 t 178.68 -29.61 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.717 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.15 17.95 58.3 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.681 -171.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.3 m 60.42 -177.11 0.1 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.262 0.531 . . . . 0.0 110.701 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.32 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.764 0.793 . . . . 0.0 110.914 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.93 139.16 30.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.616 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -67.38 -35.24 78.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.65 -173.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 115' ' ' GLU . . . -60.75 -48.06 83.51 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.21 -45.39 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.9 p -66.59 -23.98 66.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 0.0 110.547 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -72.15 -52.17 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.266 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 54.2 mt-10 -57.4 -50.98 71.26 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.677 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 120' ' ' VAL . 87.2 t -57.43 -53.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -49.7 75.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.303 0.241 . . . . 0.0 111.366 -177.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -58.32 -50.41 73.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.42 -43.35 77.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.84 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.1 -50.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 120.725 0.298 . . . . 0.0 110.75 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.404 ' HG2' HD21 ' A' ' 90' ' ' LEU . 57.5 mtpt -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.952 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 50.9 ttp -67.09 -37.76 84.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.334 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.7 2.3 45.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.914 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.5 t -115.27 -29.94 6.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.628 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 121.66 0.743 . . . . 0.0 110.777 -177.638 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.573 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.4 tt . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 121.348 0.594 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -85.05 11.72 9.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.333 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.7 p -82.77 -15.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -135.69 118.2 12.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 99.6 Cg_exo -44.88 -48.4 10.8 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 123.602 2.868 . . . . 0.0 113.291 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.21 -34.71 78.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -49.01 58.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -64.65 -44.97 88.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.116 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.478 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -62.45 -33.85 75.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.078 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -59.25 -48.54 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.638 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.573 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.83 -29.16 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.012 -177.72 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -67.52 -49.93 61.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.701 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -69.09 -35.69 76.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.41 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.8 m-20 -66.61 -25.92 66.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.9 -46.41 65.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.13 -47.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.082 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.1 pp0? -60.85 -30.02 69.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.78 0.324 . . . . 0.0 110.789 -178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.56 -49.27 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.343 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.02 71.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.603 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 t -72.25 -15.3 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -113.92 10.27 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -70.15 -50.96 35.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.404 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.52 3.72 77.59 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.189 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -98.4 -37.86 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.446 0.641 . . . . 0.0 109.842 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.83 160.26 20.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.493 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.7 p -79.11 166.3 22.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.9 -27.58 68.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.705 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -78.46 -51.29 10.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.642 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.2 -36.01 74.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.406 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.3 mtm -69.69 -27.81 65.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.098 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -82.1 -33.15 29.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 109.983 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.68 -33.94 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.196 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.525 ' SD ' HG21 ' A' ' 77' ' ' VAL . 88.0 mmm -54.19 -44.75 71.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.869 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.03 71.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.614 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.0 mtm -69.15 -38.8 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.226 -0.189 . . . . 0.0 111.204 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -78.33 -29.94 47.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.067 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.48 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.86 -41.13 95.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.966 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 t -70.87 -30.91 67.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.688 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 43' ' ' MET . 90.8 t -59.21 -51.2 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.445 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.478 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.8 p-10 -68.51 -34.19 75.44 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.507 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.1 m -60.74 -46.04 91.96 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 177.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 45.5 mt-30 -70.54 -34.94 72.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.798 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.766 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 6.6 tmm? -69.23 -39.9 78.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.602 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -71.6 -31.28 66.75 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.686 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 49' ' ' SER . 61.1 pttt -91.65 14.31 15.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.017 0.436 . . . . 0.0 111.001 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.9 ttm -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.49 143.79 5.82 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.133 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.11 125.79 13.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.683 2.256 . . . . 0.0 111.298 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 50.63 69.73 2.43 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.44 134.95 29.94 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.524 2.149 . . . . 0.0 113.405 -170.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.9 152.47 77.08 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 0.0 111.078 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.56 -21.61 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -76.77 -14.61 59.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.018 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -89.04 -31.44 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.72 -47.46 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.542 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -43.31 61.84 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.456 -174.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . -87.23 14.68 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -177.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 71.6 mmm -114.72 -43.11 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -44.58 96.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.002 0.429 . . . . 0.0 109.996 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.409 HG23 ' CD2' ' A' ' 119' ' ' LEU . 96.0 m -68.79 -31.82 71.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.819 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 65' ' ' ALA . . . -63.1 -52.49 62.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.585 -177.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 74' ' ' VAL . 59.7 ttp -62.64 -44.07 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 109.992 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.66 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.154 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.462 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.81 -27.07 40.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.134 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 70' ' ' MET . 99.6 t -69.67 -34.98 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -27.06 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.427 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.67 -45.68 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.467 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.525 HG21 ' SD ' ' A' ' 40' ' ' MET . 14.1 m -76.5 -28.79 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.634 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 74' ' ' VAL . 64.5 t -68.98 -27.29 34.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.323 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.0 -18.04 65.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -89.93 -2.28 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.383 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m -94.75 123.07 59.06 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.13 150.25 77.04 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.3 2.0 . . . . 0.0 111.749 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.65 -25.97 28.01 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.122 2.548 . . . . 0.0 113.199 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p -95.11 6.5 48.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.36 -42.81 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 51.3 m -75.58 4.72 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.745 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.31 -35.99 6.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 93' ' ' ILE . 99.7 t -71.86 -54.2 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.014 178.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.55 -37.99 79.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.558 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 87' ' ' SER . 6.2 t-20 -60.05 -46.02 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.284 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -61.95 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.937 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.2 mm -56.68 -54.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.77 95.89 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.454 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.51 75.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.797 0.332 . . . . 0.0 111.882 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.7 m -72.32 -40.08 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.299 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.0 -38.46 91.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.287 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -55.34 -52.4 63.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.729 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.611 ' HG3' ' N ' ' A' ' 100' ' ' SER . 2.3 pt-20 -71.2 -37.8 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.068 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.611 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 60.0 m -56.5 -33.8 66.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.374 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.5 mmm -60.19 -48.33 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 14.5 ptm -80.89 -26.33 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.358 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.88 -10.55 59.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 110.623 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -89.93 -61.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.336 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.468 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.7 t 174.07 -28.81 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.3 27.4 9.44 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.996 -169.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 81.4 p 48.37 -158.27 0.05 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.964 0.506 . . . . 0.0 111.353 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.4 t -111.62 104.26 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.171 0.51 . . . . 0.0 109.77 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.16 -175.24 5.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -137.44 21.23 2.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.136 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.67 -50.54 2.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.261 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -68.36 -51.38 44.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.601 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.7 p -55.02 -41.12 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.368 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -48.8 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.26 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 119' ' ' LEU . 26.5 tt0 -59.18 -47.75 84.14 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.5 -45.67 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.769 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.493 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 9.1 mmt -70.55 -9.5 56.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -98.22 -54.58 3.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 115' ' ' GLU . 10.0 mp -62.05 -42.28 99.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.977 -175.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.34 -26.94 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.267 0.556 . . . . 0.0 110.476 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -88.39 -50.1 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.258 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -69.6 -36.36 76.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.3 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.6 mt -82.09 -1.42 48.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.371 . . . . 0.0 110.695 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -112.75 -71.08 0.77 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.396 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.678 -177.6 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.415 HG12 ' SD ' ' A' ' 18' ' ' MET . 4.5 tp . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -75.2 67.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.82 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -104.91 -30.97 9.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.518 0.675 . . . . 0.0 110.276 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -138.18 125.14 13.32 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.854 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.2 Cg_exo -46.2 -45.63 17.95 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.236 2.624 . . . . 0.0 112.912 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.52 -36.97 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.37 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -67.92 -45.32 74.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.586 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -65.58 -40.2 92.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.216 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -21.5 63.97 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.414 177.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 94.9 m -60.99 -52.67 64.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.6 ptt? -65.18 -36.2 83.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.456 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -65.52 -44.84 85.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.622 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -67.91 -38.99 83.62 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.849 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.43 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.7 m-20 -62.77 -32.74 73.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.95 -44.55 89.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.209 0.528 . . . . 0.0 109.723 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.11 -47.49 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.954 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.9 pt20 -68.52 -24.85 64.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -75.09 -50.8 15.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.053 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.2 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 t -71.59 -12.82 61.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.068 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -124.25 19.63 8.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 p -74.44 -39.78 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.697 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.27 -16.45 59.75 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.25 -49.04 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.09 0.472 . . . . 0.0 110.472 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.44 153.2 40.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.312 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 37' ' ' MET . 4.5 t -90.14 164.84 14.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.54 64.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.64 -46.51 85.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.109 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 40' ' ' MET . 77.0 mt-30 -66.28 -36.22 82.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.659 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 33' ' ' THR . 55.6 mtt -64.42 -32.03 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.793 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.18 -42.11 56.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -34.61 74.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 92.7 mmm -61.94 -33.38 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.63 -44.25 82.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.258 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.2 -21.11 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.283 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.407 ' HG2' ' HB3' ' A' ' 73' ' ' GLU . 14.5 tmm? -59.91 -46.22 90.06 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.33 82.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.657 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.3 -41.97 98.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.587 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.5 t -59.89 -50.15 74.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.019 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.45 -43.96 91.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.8 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -48.83 -53.03 20.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 t -62.06 -41.29 97.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.278 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 46' ' ' SER . 48.5 mt-30 -74.94 -33.29 61.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 0.0 110.95 -177.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.42 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 50.8 ttp -67.14 -26.5 66.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.76 -19.59 62.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.089 0.471 . . . . 0.0 110.607 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 10.3 mmpt? -90.45 -6.22 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.208 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.447 ' HB2' ' HE3' ' A' ' 54' ' ' MET . 41.5 ttm -66.13 -67.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.652 -178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.77 151.22 13.54 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.185 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.36 145.9 67.03 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.938 2.425 . . . . 0.0 112.816 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 p30 37.99 69.77 1.39 Allowed Pre-proline 0 N--CA 1.47 0.559 0 O-C-N 124.392 1.057 . . . . 0.0 112.996 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 62' ' ' ARG . 47.3 Cg_endo -95.13 148.94 1.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.256 2.637 . . . . 0.0 113.02 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HD2' ' HG3' ' A' ' 62' ' ' ARG . 17.1 Cg_exo -63.26 160.7 33.68 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.82 2.347 . . . . 0.0 112.264 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -39.55 42.96 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -70.82 -19.41 62.67 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.495 ' HG3' ' HD2' ' A' ' 59' ' ' PRO . 25.6 mmm180 -73.37 -37.04 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 110.224 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.87 -25.9 43.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.469 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.51 10.38 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.278 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.49 -1.58 14.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.175 0.512 . . . . 0.0 110.199 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.2 mmm -106.67 -23.03 12.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.814 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -52.1 -57.0 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.9 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.3 m -64.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -50.73 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.388 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.9 ttp -73.3 -43.54 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.151 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 120' ' ' VAL . . . -51.12 -48.35 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.118 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.407 ' HB3' ' HG2' ' A' ' 43' ' ' MET . 5.5 mm-40 -76.97 -38.39 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.888 0.375 . . . . 0.0 110.573 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.03 -22.88 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.53 0.681 . . . . 0.0 109.885 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.0 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.463 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.13 -43.98 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.956 -175.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.0 m -71.65 -25.29 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 111.07 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.19 -28.57 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -23.25 66.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.063 0.458 . . . . 0.0 111.067 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -93.12 9.94 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.239 0.542 . . . . 0.0 110.893 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 m -94.41 125.26 52.68 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.72 147.7 69.94 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.696 2.264 . . . . 0.0 111.684 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.28 -42.28 27.46 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 123.418 2.745 . . . . 0.0 113.89 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -73.97 -36.89 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.846 0.355 . . . . 0.0 111.189 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.6 m -79.04 -18.2 53.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.556 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.35 -44.63 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.579 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.2 m -53.61 -39.12 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.76 -31.01 59.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 110.363 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.38 -11.49 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.922 0.868 . . . . 0.0 110.251 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -93.75 -57.29 2.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.421 174.463 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.86 -47.97 70.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.338 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -60.36 -51.12 70.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.671 0.272 . . . . 0.0 111.53 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.8 mm -58.76 -44.09 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.69 -43.34 94.48 Favored Glycine 0 C--N 1.329 0.143 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.683 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.2 75.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.61 -43.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.967 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 97' ' ' LEU . 1.1 tm? -64.04 -42.47 97.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.887 0.375 . . . . 0.0 110.206 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -40.93 84.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 177.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -72.07 -58.72 3.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.5 p -51.74 -38.95 57.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.989 -173.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.7 ttt -60.91 -51.07 70.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.47 -177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.8 ptm -79.07 -24.74 43.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.05 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.74 -11.91 61.22 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.112 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.69 -70.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.316 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.4 t 176.19 -36.71 0.01 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.692 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 30.32 3.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.211 -0.518 . . . . 0.0 113.338 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 101' ' ' MET . 71.4 p 50.92 -166.7 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.196 0.599 . . . . 0.0 110.945 -176.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.62 107.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.495 0.664 . . . . 0.0 110.174 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.7 148.08 45.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.763 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -78.81 -25.21 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.799 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.87 -45.1 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.168 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -56.51 -43.41 79.71 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.328 0.393 . . . . 0.0 111.641 -176.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.402 HG22 HD12 ' A' ' 97' ' ' LEU . 6.0 p -55.76 -55.95 26.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.352 0.596 . . . . 0.0 110.396 176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.66 -41.35 85.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.638 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -56.45 -59.2 5.32 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.914 0.886 . . . . 0.0 111.399 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 120' ' ' VAL . 12.1 p -68.36 -39.48 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 55.0 mmm -58.14 -52.26 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -63.25 -38.86 92.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 110.362 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.92 -43.31 98.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.752 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 116' ' ' VAL . 72.9 t -53.8 -44.91 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-O 121.085 0.469 . . . . 0.0 110.908 176.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 17.2 mmmt -73.6 -46.33 47.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.601 . . . . 0.0 110.677 -175.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.47 -27.83 69.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.737 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.8 mt -93.99 10.79 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.48 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.7 p -125.02 -60.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.476 178.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.419 HG12 ' HG2' ' A' ' 18' ' ' MET . 7.7 tp . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.445 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 64.5 m95 -83.89 33.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.307 -0.245 . . . . 0.0 110.646 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -61.46 -47.66 84.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.85 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.85 160.68 43.03 Favored Pre-proline 0 N--CA 1.442 -0.851 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 72.0 Cg_exo -47.67 -48.73 15.03 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.391 2.728 . . . . 0.0 113.728 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -62.07 -42.3 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.081 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.76 84.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 0.0 111.134 -174.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -74.49 -45.13 48.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.264 -177.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.591 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -65.25 -32.33 73.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -177.569 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 104' ' ' ALA . 53.2 m -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.432 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 0.0 OUTLIER -69.26 -33.67 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.17 -177.624 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.4 m -65.61 -45.99 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 0.0 110.758 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -72.44 -33.57 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.65 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.476 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.3 m-20 -64.95 -33.13 75.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.052 0.453 . . . . 0.0 110.424 176.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.2 tp -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.47 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.04 -49.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.876 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.476 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 11.6 pt20 -67.98 -31.29 70.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.925 0.393 . . . . 0.0 110.964 -175.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.38 -42.82 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.76 -29.51 51.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.588 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -67.95 -20.36 65.05 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.297 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -123.97 28.73 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 110.612 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -74.39 -38.13 63.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.007 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.61 8.41 67.82 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.7 t -111.59 -49.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.932 0.396 . . . . 0.0 110.448 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.51 145.24 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.2 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -79.35 172.08 14.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.71 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.506 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.8 -50.66 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.241 0.543 . . . . 0.0 109.766 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -60.59 -37.75 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.513 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.2 ptp -74.48 -17.76 60.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.411 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -79.55 -33.6 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.261 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -60.72 -32.1 71.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.161 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.532 ' SD ' HG21 ' A' ' 77' ' ' VAL . 90.1 mmm -56.0 -45.11 79.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.658 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.69 57.18 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.707 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.6 ptp -67.04 -32.24 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.57 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -74.84 -33.46 62.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.043 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -59.68 -41.54 90.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.44 -44.78 95.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 110.336 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -59.52 -39.64 84.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.223 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 43' ' ' MET . 96.3 t -60.51 -53.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.757 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.498 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -68.96 -28.05 66.29 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.141 -0.623 . . . . 0.0 111.404 -177.243 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -61.36 -38.33 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 0.0 109.762 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 41.7 mt-30 -82.52 -23.79 34.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.886 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.723 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.0 tmm? -80.94 -30.26 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 111.242 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 49.6 mt-30 -74.84 -20.54 59.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.358 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -88.75 -9.02 53.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.17 174.661 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.419 ' HB3' ' O ' ' A' ' 51' ' ' MET . 33.2 ttm -72.07 -49.85 33.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.267 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.06 132.3 7.6 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.308 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.09 133.71 59.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.611 2.207 . . . . 0.0 111.671 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 60.13 69.15 1.25 Allowed Pre-proline 0 C--O 1.234 0.259 0 O-C-N 124.009 0.818 . . . . 0.0 109.355 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -84.44 156.45 12.46 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.826 2.35 . . . . 0.0 113.873 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.55 145.79 59.49 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.738 2.292 . . . . 0.0 111.553 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' CD ' ' H ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -44.97 -44.98 10.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.779 0.831 . . . . 0.0 113.089 -171.676 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -65.32 -19.0 65.76 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -79.14 -26.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.182 -0.324 . . . . 0.0 111.418 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 60' ' ' GLN . 2.9 mm? -70.77 -36.72 73.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.861 0.362 . . . . 0.0 110.764 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -61.59 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.455 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.95 -23.09 63.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.343 -172.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 63.3 mmm -85.12 -32.34 22.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.792 0.33 . . . . 0.0 111.283 -174.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -35.83 80.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.101 0.477 . . . . 0.0 109.85 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.558 HG23 ' CD2' ' A' ' 119' ' ' LEU . 77.3 m -74.51 -35.5 63.19 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.534 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.59 85.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -65.44 -43.46 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 110.135 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.04 69.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.597 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.47 67.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.582 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.73 -26.7 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.028 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 77' ' ' VAL . 57.5 t -72.86 -27.43 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.238 0.542 . . . . 0.0 110.069 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.99 67.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.394 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.19 -30.53 71.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.932 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -82.24 -22.1 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.5 -178.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.0 -32.01 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.8 -18.67 65.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.317 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -89.11 9.1 26.68 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.213 0.53 . . . . 0.0 111.172 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m -98.09 131.65 26.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.89 134.75 30.67 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.218 1.945 . . . . 0.0 111.449 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -42.69 -42.64 8.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.856 3.038 . . . . 0.0 114.353 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -62.48 -23.43 66.91 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -119.59 3.01 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -59.02 -44.2 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -56.29 -37.43 69.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.384 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.47 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.76 -42.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.621 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.23 -39.66 93.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.054 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -56.91 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.874 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -62.75 -53.33 55.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.772 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 mm -57.13 -48.55 81.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.246 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.43 -41.57 99.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.663 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -65.82 -52.14 53.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.41 -37.28 77.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.87 -41.31 83.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 111.31 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.9 ttm180 -64.04 -44.94 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.594 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 33.9 mm-40 -65.62 -56.15 13.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.424 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.51 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 34.9 p -53.9 -32.58 53.91 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.275 -174.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.28 -51.37 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.348 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.67 -18.25 31.76 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.775 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.51 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -67.11 -26.36 66.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.339 172.712 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.53 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -72.9 -70.53 0.35 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.726 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.5 t 167.4 -19.68 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 -176.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.72 7.61 81.51 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.055 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.4 m 62.65 173.61 0.14 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.282 0.563 . . . . 0.0 111.066 -175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -99.16 104.89 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 122.101 0.953 . . . . 0.0 109.667 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.07 168.58 15.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.626 -1.624 . . . . 0.0 112.093 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.21 -18.77 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.204 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.33 -52.31 3.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.329 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.27 -53.9 53.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.054 0.454 . . . . 0.0 110.769 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -17.86 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.067 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -89.52 -47.14 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.727 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.16 -53.7 41.04 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.67 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 120' ' ' VAL . 74.9 t -54.96 -46.26 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.425 ' O ' ' HD3' ' A' ' 121' ' ' LYS . 0.2 OUTLIER -59.13 -44.8 92.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.873 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.9 -48.06 82.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.444 . . . . 0.0 110.458 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.558 ' CD2' HG23 ' A' ' 68' ' ' THR . 8.5 mp -65.37 -42.91 92.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.84 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.0 t -53.51 -43.5 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.968 0.414 . . . . 0.0 110.5 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 117' ' ' MET . 35.4 mtpt -65.36 -50.82 64.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.684 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -76.79 -24.83 52.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.289 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.5 mt -89.44 2.2 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.238 -0.289 . . . . 0.0 111.118 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.0 p -117.78 -67.27 1.0 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.137 -176.882 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 tt . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.145 0.498 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -78.49 16.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.128 -0.358 . . . . 0.0 111.471 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.54 -22.88 40.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -132.65 114.67 14.39 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.146 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.773 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 87.9 Cg_exo -47.2 -45.15 22.58 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.5 2.8 . . . . 0.0 113.584 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.54 -40.73 96.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.491 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.61 74.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.694 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.36 82.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.544 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.714 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -62.09 -28.51 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 104' ' ' ALA . 99.1 m -60.62 -50.28 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 178.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -29.47 63.49 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.389 -176.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -66.61 -44.35 82.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 110.598 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -69.47 -42.47 74.82 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.33 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.424 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.1 m-20 -61.42 -33.7 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.834 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.75 -47.63 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 0.0 110.209 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.61 -44.96 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.998 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.7 pt20 -66.67 -34.84 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 110.382 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.95 -41.25 82.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 109.974 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -70.63 -26.84 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.467 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.9 m -76.24 -30.09 57.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.148 0.499 . . . . 0.0 110.892 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -98.8 15.86 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.002 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -73.31 -50.35 22.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.29 -3.09 79.39 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -99.9 -38.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.405 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 ' HB1' ' A' ' 26' ' ' ALA . 9.8 mp -76.52 163.17 27.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.044 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' HG3' ' A' ' 37' ' ' MET . 80.3 p -93.98 166.62 12.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.655 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.85 73.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.01 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.78 -48.07 70.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -64.2 -37.18 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.671 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 33' ' ' THR . 30.2 mtt -69.25 -38.5 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.841 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.741 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.961 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 37' ' ' MET . 74.6 mmm -58.81 -41.55 87.03 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.263 0.554 . . . . 0.0 110.177 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.76 -42.38 95.24 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.875 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.24 -31.85 72.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.984 0.421 . . . . 0.0 110.513 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.504 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.4 tmm? -60.48 -56.59 19.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.973 174.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.63 76.15 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.58 -48.51 63.15 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.84 0.713 . . . . 0.0 111.167 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 34.6 t -72.99 -33.82 66.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 43' ' ' MET . 87.0 t -56.73 -51.13 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.735 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.714 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 2.1 p-10 -66.04 -32.19 73.51 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.267 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -60.9 -54.18 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 46' ' ' SER . 13.0 pt20 -73.63 -32.93 64.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.773 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 15.3 tmm? -72.47 -39.97 67.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -72.29 -36.72 69.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.529 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -81.78 11.15 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.749 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 19.1 ttp -76.69 -21.31 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 109.908 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.93 151.24 21.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.476 171.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.61 131.36 22.72 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.786 2.324 . . . . 0.0 111.034 174.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 59.39 75.53 0.5 Allowed Pre-proline 0 N--CA 1.464 0.24 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.87 139.17 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.786 2.324 . . . . 0.0 113.127 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -66.71 137.84 47.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.253 1.969 . . . . 0.0 110.384 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -59.01 -31.42 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -169.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -62.31 -29.81 70.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.148 0.431 . . . . 0.0 111.089 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.749 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 17.0 mmt180 -69.48 -31.74 70.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.197 0.522 . . . . 0.0 110.398 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.9 -1.11 13.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.045 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -96.53 -53.73 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.839 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.31 -28.18 66.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.249 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 94.6 mmm -61.56 -33.06 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.09 -49.27 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 m -61.63 -41.29 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.595 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.58 -52.21 65.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.474 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 74' ' ' VAL . 58.0 ttp -67.4 -44.24 79.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.157 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.25 86.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.645 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.72 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.577 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 9.2 mm-40 -80.33 -38.06 31.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 70' ' ' MET . 48.6 t -66.44 -26.93 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.333 0.587 . . . . 0.0 109.906 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -24.77 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.535 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.15 -48.5 78.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 74' ' ' VAL . 26.6 m -70.27 -26.57 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.388 . . . . 0.0 111.24 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.34 -30.77 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.912 0.387 . . . . 0.0 110.71 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -15.66 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.614 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -85.87 5.17 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.799 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -99.76 130.03 27.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.513 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.58 162.5 41.16 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.425 2.083 . . . . 0.0 111.404 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.6 12.09 0.26 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.163 2.576 . . . . 0.0 113.704 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -105.05 -61.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.061 0.457 . . . . 0.0 110.351 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 p -84.21 0.99 46.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.506 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.63 -42.3 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 15.1 m -69.51 -6.87 33.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.071 -178.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.89 -33.58 8.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 93' ' ' ILE . 61.5 t -75.56 -55.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.155 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.98 -39.39 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.841 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' ' 87' ' ' SER . 7.0 t-20 -52.99 -48.28 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.321 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 m -62.8 -45.26 93.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.83 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -56.51 -50.88 71.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.75 -44.52 97.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.46 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.43 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.18 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.107 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.05 -45.25 95.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 99.2 mtt180 -58.96 -50.5 73.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.85 -55.06 39.21 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.794 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.6 m -49.98 -40.61 44.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.064 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 56.5 mmm -60.12 -51.89 67.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.759 0.314 . . . . 0.0 111.731 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.3 ptm -77.56 -24.63 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.365 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -76.91 -19.29 57.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.581 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.488 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -75.05 -63.81 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 8.9 t 168.97 -24.72 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.726 0.641 . . . . 0.0 111.139 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.56 20.64 13.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.924 -172.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.5 p 51.85 -165.91 0.05 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.247 0.619 . . . . 0.0 111.237 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.27 97.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.07 161.72 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.292 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -91.02 -28.82 17.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.79 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.152 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -58.53 -55.77 30.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 110.581 -177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -18.05 60.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.736 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.25 -48.88 5.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.41 -43.1 91.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 122.867 0.467 . . . . 0.0 111.368 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 120' ' ' VAL . 74.5 t -59.29 -44.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.681 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -45.86 90.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.558 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 118' ' ' GLN . 6.5 tp60 -61.78 -45.42 93.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.88 -48.81 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.424 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 116' ' ' VAL . 69.7 t -56.16 -39.75 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.163 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -75.2 -48.64 22.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.918 0.39 . . . . 0.0 111.211 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -69.31 -34.9 75.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.629 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.38 -4.04 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.947 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.4 t -103.43 -65.34 1.01 Allowed 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 121.203 0.525 . . . . 0.0 109.715 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.588 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.386 -176.267 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.11 15.58 1.48 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -71.34 -32.48 68.6 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.287 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -139.41 140.64 26.27 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.065 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.618 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.3 Cg_endo -53.58 -46.94 30.06 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.719 2.946 . . . . 0.0 113.798 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -62.93 -37.22 86.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.019 -175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.64 55.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.161 0.505 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -45.44 68.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.949 -176.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.529 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -61.54 -34.44 75.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.3 m -58.92 -54.15 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -28.72 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.145 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.7 m -69.18 -46.75 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.73 -32.38 65.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.651 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.512 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.3 m-20 -66.24 -31.62 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 110.338 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD22 HD23 ' A' ' 97' ' ' LEU . 45.4 tp -63.06 -45.91 89.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.651 176.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.5 -48.08 90.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 12.0 pt20 -65.93 -31.56 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.722 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 t -75.53 -46.95 29.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.43 46.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 0.0 112.025 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -71.46 -17.9 62.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.391 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -112.94 23.1 13.76 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.564 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -80.72 -34.17 34.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.681 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.23 75.84 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -97.35 -41.48 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 111.207 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -72.25 164.67 25.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.341 0.591 . . . . 0.0 111.43 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 37' ' ' MET . 18.4 p -90.21 168.88 11.59 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.212 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -30.93 69.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.612 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -56.03 6.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.211 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 40' ' ' MET . 93.2 mt-30 -55.65 -43.33 76.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.663 -177.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 33' ' ' THR . 74.8 mtm -62.43 -41.87 99.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.459 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.56 -35.72 39.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.853 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.1 m-20 -67.43 -25.4 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 69.5 mmm -62.47 -33.76 75.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.109 0.48 . . . . 0.0 110.283 172.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.36 84.93 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.132 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.9 ptp -70.6 -21.95 62.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.894 0.378 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.3 tmm? -65.18 -52.23 56.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.83 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.218 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.93 -42.93 90.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.39 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 31.4 t -66.87 -39.99 87.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.752 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 43' ' ' MET . 63.9 t -57.2 -51.5 68.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.685 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.529 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 2.1 p-10 -70.51 -26.61 63.66 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.085 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.8 t -60.26 -50.49 73.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' SER . 55.7 mt-30 -71.02 -47.27 59.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.959 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.3 tmm? -60.6 -42.59 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.496 -176.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -73.16 -17.18 61.4 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.362 -177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' SER . 65.1 mttm -89.28 -21.09 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.843 0.354 . . . . 0.0 110.155 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 40.1 ttp -65.6 -45.83 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.703 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 114.87 168.3 15.75 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.129 174.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.9 134.73 8.48 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.132 2.555 . . . . 0.0 112.503 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.469 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 47.2 m-80 53.55 63.39 8.12 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.498 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HG3' ' O ' ' A' ' 55' ' ' GLY . 1.9 Cg_endo -86.44 170.77 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.124 2.549 . . . . 0.0 112.072 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.492 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 Cg_exo -62.83 139.76 76.24 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.569 2.179 . . . . 0.0 112.166 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.16 -37.04 76.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -66.74 -20.33 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.587 0.232 . . . . 0.0 111.183 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -83.81 -38.78 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 109.843 175.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 59' ' ' PRO . 16.1 mt -67.83 -39.18 83.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.702 0.763 . . . . 0.0 109.802 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -78.44 3.91 14.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.243 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.67 -9.39 12.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.544 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mmm -74.16 -23.33 59.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 109.868 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -60.07 -29.21 68.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.404 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.481 ' HA ' HD13 ' A' ' 119' ' ' LEU . 25.9 m -75.75 -40.89 54.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.31 76.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.435 ' O ' HG23 ' A' ' 74' ' ' VAL . 27.2 ptm -69.31 -43.0 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.752 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.734 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.47 98.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 111.0 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.94 -35.27 79.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 70' ' ' MET . 63.5 t -74.25 -38.15 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.05 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -53.65 -57.02 12.28 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.308 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -31.19 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.932 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.0 t -70.73 -37.65 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.45 -7.54 38.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.459 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.6 m -94.52 6.98 47.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.514 0.673 . . . . 0.0 110.278 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -96.67 126.47 43.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -57.52 150.41 60.46 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.501 2.134 . . . . 0.0 111.42 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -43.6 -49.56 7.73 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.554 2.836 . . . . 0.0 114.064 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -67.12 -41.85 85.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.39 . . . . 0.0 111.468 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.83 -21.94 46.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' CE2' HG12 ' A' ' 78' ' ' VAL . 38.9 t80 -54.92 -45.45 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.355 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -57.54 -40.65 79.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.11 76.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.317 0.579 . . . . 0.0 110.448 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.1 t -69.24 -50.08 55.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.481 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -44.47 96.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.024 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.17 -41.25 87.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.75 0.31 . . . . 0.0 110.648 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -62.05 -49.74 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.653 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 89' ' ' VAL . 50.8 mm -56.75 -49.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -63.32 -42.14 99.29 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.187 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 79.8 m -66.66 -41.45 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.687 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.513 HD23 HD22 ' A' ' 22' ' ' LEU . 1.6 tm? -56.73 -39.52 74.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -178.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 83.1 mtt-85 -60.64 -58.63 7.64 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 111.164 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -65.07 -38.78 91.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.368 -176.318 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.5 m -57.66 -43.11 84.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 37.2 mmm -60.58 -43.31 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.54 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.479 ' HA ' ' HA ' ' A' ' 107' ' ' SER . 3.0 ppp? -82.94 -24.48 33.0 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.48 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -78.31 -3.58 43.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.12 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.47 -83.64 0.1 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 105' ' ' THR . 6.0 t 166.47 93.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 122.592 1.187 . . . . 0.0 108.831 -173.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 142.77 -11.84 2.4 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 102' ' ' MET . 25.3 p 75.37 165.61 0.27 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.852 -1.174 . . . . 0.0 111.022 174.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -76.69 93.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.936 0.874 . . . . 0.0 111.22 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.18 148.46 44.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.165 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -89.04 -17.66 28.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.879 -173.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.34 -49.86 5.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 0.0 110.932 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.73 -47.82 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.14 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.2 p -59.93 -48.61 81.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -57.0 -45.71 82.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.246 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -62.77 -53.12 59.25 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.715 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 120' ' ' VAL . 4.7 p -65.5 -36.04 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.526 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 3.1 mmt -60.08 -52.56 64.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.39 174.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -55.03 -47.74 74.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.669 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 68' ' ' THR . 13.1 mt -66.65 -47.23 73.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.232 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.8 t -56.16 -44.65 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.119 0.485 . . . . 0.0 110.688 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.29 -45.68 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.668 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -85.64 -0.65 55.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 p -113.47 -52.56 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.461 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.732 -176.007 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.9 tp . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.61 18.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 p -89.4 -4.6 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 0.0 110.469 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 24.4 t-20 -143.69 115.19 5.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.898 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.19 -53.4 7.19 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.274 2.65 . . . . 0.0 113.378 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.76 -38.7 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.653 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 11' ' ' ASN . . . -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.677 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.38 86.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.178 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.565 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -63.91 -30.75 71.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.318 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -59.05 -52.46 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.31 69.81 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.26 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -64.03 -45.95 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.445 . . . . 0.0 110.418 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -68.19 -34.99 77.31 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.538 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 74.7 m-20 -62.92 -36.03 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.709 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.42 -50.39 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.845 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.538 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 1.5 pp0? -67.16 -37.99 84.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.883 -176.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -66.2 -43.6 86.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.271 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.362 . . . . 0.0 110.943 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -76.15 -27.41 57.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.086 0.469 . . . . 0.0 110.356 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 4.8 mmp_? -102.41 11.48 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -70.51 -62.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.899 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.71 34.19 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.04 -30.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.651 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 56.1 mt -84.53 178.51 7.69 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.717 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 37' ' ' MET . 8.9 t -112.73 163.8 14.14 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 0.0 110.498 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.5 -46.07 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.739 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' H ' HG23 ' A' ' 33' ' ' THR . 93.9 mt-30 -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.011 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.4 mtt -68.92 -26.28 65.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.99 -39.78 69.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.143 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 42' ' ' MET . 27.9 m-20 -65.11 -28.57 69.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.04 -30.95 69.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.606 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 -49.36 55.85 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.677 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.5 ptp -67.81 -27.09 66.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.9 0.381 . . . . 0.0 110.547 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.503 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.9 tmm? -64.17 -52.28 59.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.21 78.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.017 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -54.02 -47.8 71.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.92 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -69.62 -32.17 70.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.146 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 43' ' ' MET . 84.5 t -62.91 -49.97 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.798 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.565 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.7 p-10 -64.57 -38.56 91.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.5 t -57.54 -43.51 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 110.473 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.44 -26.06 60.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.204 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -77.53 -38.35 48.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 65.8 mt-30 -65.63 -36.17 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.726 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.54 19.77 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.142 0.496 . . . . 0.0 110.896 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.528 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 53.5 ttm -78.62 -38.5 39.68 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.49 148.71 17.48 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.036 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.18 130.78 23.48 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.771 2.314 . . . . 0.0 111.5 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 53.01 68.53 2.93 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-O 121.441 0.638 . . . . 0.0 109.282 -172.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.528 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 73.9 Cg_endo -71.5 149.87 56.71 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.257 2.638 . . . . 0.0 114.243 -166.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 11.0 Cg_exo -70.83 152.71 63.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.02 2.48 . . . . 0.0 112.32 175.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -48.45 -56.49 8.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.685 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -59.81 -23.4 63.29 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' MET . 14.8 mmm180 -71.87 -31.98 67.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.086 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.502 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.0 mp -83.73 -38.28 21.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.405 0.622 . . . . 0.0 109.981 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -68.52 -17.5 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.39 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.73 -10.85 28.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 88.9 mmm -80.43 -24.83 39.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 111.265 -174.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -67.55 -24.76 65.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.416 ' HA ' HD13 ' A' ' 119' ' ' LEU . 24.6 m -89.3 -37.49 14.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.156 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.37 57.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.476 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.67 -43.32 80.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.14 0.495 . . . . 0.0 110.626 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.9 80.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.64 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.23 -24.96 20.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.786 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 p -76.48 -20.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 124' ' ' SER . . . -64.17 -20.58 66.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.477 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.621 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.16 -30.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.1 t -74.71 -41.35 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.78 -20.28 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.348 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -100.06 9.79 42.3 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.47 0.653 . . . . 0.0 110.514 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.0 m -91.54 134.18 29.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.324 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.69 131.58 46.65 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.601 2.201 . . . . 0.0 111.617 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.03 -36.32 11.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.733 2.955 . . . . 0.0 114.114 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.36 -35.01 79.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.81 0.338 . . . . 0.0 111.522 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.0 m -99.16 -5.7 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.723 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -54.7 -48.31 72.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.477 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -38.55 85.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.6 78.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.187 0.517 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 93' ' ' ILE . 77.0 t -65.26 -46.44 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.681 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.9 mt -59.72 -44.28 93.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.52 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -59.5 -41.2 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.035 0.445 . . . . 0.0 110.657 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.9 m -66.18 -51.12 60.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.067 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.0 mm -52.84 -47.38 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.686 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.415 ' HA2' ' SD ' ' A' ' 117' ' ' MET . . . -59.7 -46.71 93.57 Favored Glycine 0 C--N 1.33 0.226 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.875 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.99 -47.17 86.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.943 0.402 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.5 m -62.63 -44.69 95.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.32 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.571 HD12 HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -62.71 -40.96 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.128 0.489 . . . . 0.0 109.985 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -51.05 71.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.852 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.17 -39.41 49.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.037 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.436 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 29.7 p -55.77 -39.53 71.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.53 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mmm -53.05 -51.78 60.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.8 ptm -79.96 -25.8 40.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.052 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.73 -22.58 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.018 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.566 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -73.69 -67.14 0.62 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.659 175.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 160.41 -14.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.877 0.736 . . . . 0.0 110.793 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.38 12.75 63.9 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.911 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 m 63.12 176.42 0.15 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.123 0.487 . . . . 0.0 111.473 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.65 108.45 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.176 0.988 . . . . 0.0 110.67 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -75.89 174.13 10.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.097 -1.411 . . . . 0.0 110.545 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -124.36 6.94 8.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.694 0.283 . . . . 0.0 110.946 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.689 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -109.12 -58.64 2.0 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.032 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -58.31 -49.04 78.59 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.262 0.553 . . . . 0.0 110.394 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.571 HG23 HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -60.13 -29.15 68.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.612 178.166 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 111' ' ' ALA . 5.9 t30 -77.1 -44.6 29.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.577 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 35.5 mm-40 -51.91 -53.08 44.99 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.92 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 120' ' ' VAL . 80.4 t -56.94 -48.94 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.664 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.415 ' SD ' ' HA2' ' A' ' 94' ' ' GLY . 53.4 mmm -76.36 13.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -119.91 -43.3 2.56 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 167.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 68' ' ' THR . 18.9 mt -64.27 -41.7 96.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 116' ' ' VAL . 87.1 t -57.92 -35.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.713 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -72.86 -47.44 46.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.507 0.67 . . . . 0.0 110.745 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.8 ttp -71.92 -31.83 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.242 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -90.97 10.52 26.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.629 0.252 . . . . 0.0 111.443 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.453 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 24.9 p -121.42 -67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.358 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.647 177.816 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.442 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.7 tt . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -82.7 57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.354 0.597 . . . . 0.0 109.844 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 -45.9 4.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.799 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -138.69 137.61 20.32 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.443 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 80.6 Cg_exo -42.07 -54.43 2.98 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 124.155 3.237 . . . . 0.0 114.109 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.29 -45.44 65.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.664 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.86 41.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.467 -172.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.4 87.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.938 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -65.06 -29.27 70.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.256 -178.586 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -58.81 -53.29 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.3 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.442 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.24 -34.84 76.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.25 -176.842 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -63.33 -47.56 81.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.157 0.503 . . . . 0.0 110.835 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -69.35 -32.05 70.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.261 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.48 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 87.5 m-20 -66.89 -26.92 67.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 110.779 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.01 -41.32 86.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.97 -48.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.987 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.48 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.0 pp0? -64.76 -26.47 68.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.8 t -81.8 -47.22 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.817 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 1.09 38.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -100.48 -19.55 16.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.161 0.982 . . . . 0.0 108.947 176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.77 -14.58 15.49 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.943 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.0 p -61.55 -41.29 97.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.147 177.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.06 6.91 81.34 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.964 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.494 HG13 HD12 ' A' ' 32' ' ' LEU . 2.8 p -96.89 -19.17 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.974 0.416 . . . . 0.0 110.531 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.494 HD12 HG13 ' A' ' 31' ' ' VAL . 10.7 mp -86.81 165.85 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.757 175.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -88.82 168.7 12.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.662 0.268 . . . . 0.0 110.515 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.09 70.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 0.0 109.924 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.35 -55.21 9.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.723 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 40' ' ' MET . 73.8 mt-30 -56.33 -43.54 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.219 -174.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.6 ptp -68.44 -22.85 64.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.33 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -80.96 -39.86 25.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -34.26 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.394 176.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 93.2 mmm -58.5 -34.02 70.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.94 -52.21 39.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.214 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -67.38 -27.22 66.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.585 ' SD ' HG12 ' A' ' 74' ' ' VAL . 34.1 ttp -63.17 -47.79 81.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.386 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.28 88.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.838 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.31 -47.1 82.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.564 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t -56.88 -38.69 73.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -67.21 -52.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.528 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.655 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -69.08 -32.92 72.71 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.71 -176.086 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.602 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 24.3 t -62.39 -48.36 80.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.092 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.57 -31.42 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.797 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.553 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.9 tmm? -74.49 -28.93 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 78.0 mt-30 -68.52 -40.28 80.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 110.264 175.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' A' ' 49' ' ' SER . 13.3 mptt -76.01 -8.95 58.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.739 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.54 ' HB3' ' O ' ' A' ' 51' ' ' MET . 31.4 ttm -73.35 -52.59 13.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.656 173.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.38 145.41 18.14 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.504 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.4 127.15 18.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.66 2.24 . . . . 0.0 111.371 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 60.75 70.56 0.94 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.28 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.447 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 61.0 Cg_endo -95.68 174.29 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.605 2.87 . . . . 0.0 113.083 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.84 142.17 68.31 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.233 1.955 . . . . 0.0 111.578 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -52.75 -36.09 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.631 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -66.3 -24.24 66.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' A' ' 66' ' ' MET . 8.2 mmt180 -70.64 -33.11 70.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.995 0.426 . . . . 0.0 110.211 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' CD1' ' HG2' ' A' ' 58' ' ' PRO . 6.0 mp -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.235 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.9 ttt85 -79.61 -11.61 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.109 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.36 -10.11 45.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.965 0.412 . . . . 0.0 111.333 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.0 mmm -89.45 -30.87 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.4 -44.34 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.854 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 m -63.03 -47.54 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.838 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -63.29 -47.95 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.759 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -68.62 -41.85 78.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.0 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.137 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.55 49.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.1 mm-40 -76.41 -45.55 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.499 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.585 HG12 ' SD ' ' A' ' 43' ' ' MET . 32.9 m -67.75 -24.64 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.326 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.47 -28.49 69.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.721 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -45.2 91.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.674 -176.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 74' ' ' VAL . 34.2 m -72.87 -34.44 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.798 0.332 . . . . 0.0 111.037 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.68 -39.11 75.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.589 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.34 -6.33 34.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.418 . . . . 0.0 111.46 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -91.57 -7.08 51.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.366 0.603 . . . . 0.0 110.133 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.2 m -94.91 130.8 31.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.644 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.5 157.5 46.01 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.76 2.306 . . . . 0.0 111.468 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -44.15 -49.01 9.02 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.362 2.708 . . . . 0.0 114.387 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.07 -36.56 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 m -90.38 -14.17 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.176 0.512 . . . . 0.0 110.467 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.4 -56.56 20.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.582 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -65.91 -27.58 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.324 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.93 82.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.237 0.541 . . . . 0.0 109.834 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 93' ' ' ILE . 92.0 t -72.06 -40.7 67.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.982 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.7 -52.55 63.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.653 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -57.17 -40.64 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.588 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.3 m -62.25 -41.92 98.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.788 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 49.2 mm -58.35 -49.68 81.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.26 -36.13 84.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.635 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.87 -45.92 73.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.701 0.286 . . . . 0.0 110.885 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.87 7.0 22.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.309 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -111.0 -21.42 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 176.652 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 108' ' ' VAL . 38.2 ptt180 -79.86 -48.69 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.479 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -38.75 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.383 . . . . 0.0 111.431 -176.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.6 p -56.93 -32.63 66.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.49 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.427 ' HB3' ' O ' ' A' ' 107' ' ' SER . 58.1 mmm -62.39 -46.79 87.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.529 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.6 ptp -76.37 -30.94 57.77 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.22 -13.5 62.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 175.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.96 -64.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.036 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.4 t -179.88 -49.9 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 34.16 2.85 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.028 -0.606 . . . . 0.0 114.408 -167.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 101' ' ' MET . 21.9 m 54.6 -164.41 0.11 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 111.321 178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 98' ' ' ARG . 32.7 t -94.91 89.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.41 133.47 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.118 -174.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -74.1 -21.36 59.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.996 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.06 -47.06 5.65 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.312 -0.155 . . . . 0.0 110.805 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.2 -61.62 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.312 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.0 p -58.61 -37.96 76.98 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.095 0.474 . . . . 0.0 110.853 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.52 -50.53 64.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.577 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.28 -43.51 81.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.768 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 120' ' ' VAL . 79.6 t -59.12 -48.38 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.274 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.8 mmt -53.96 -49.5 68.61 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -57.1 -50.04 74.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.659 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.26 -48.82 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.92 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 116' ' ' VAL . 95.3 t -55.72 -55.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.7 0.286 . . . . 0.0 110.669 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.45 -37.75 73.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.207 0.527 . . . . 0.0 111.364 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 44.6 ttp -76.37 -46.49 27.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.936 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.34 -8.05 55.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.365 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.6 m -102.39 -5.59 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.096 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.573 0.702 . . . . 0.0 110.167 177.575 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 8' ' ' ILE . 5.9 tp . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 120.954 0.406 . . . . 0.0 111.921 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -78.15 4.88 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -84.09 -2.79 57.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.72 0.295 . . . . 0.0 111.722 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -149.42 113.65 3.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.247 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 77.7 Cg_exo -51.08 -43.64 47.0 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.31 2.673 . . . . 0.0 112.988 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.58 -40.6 97.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.604 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.36 -44.97 64.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.847 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.9 79.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.464 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.269 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.2 m -59.57 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.265 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -30.22 67.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.329 -177.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -65.24 -45.69 83.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.573 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.76 -37.47 82.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 95.2 m-20 -66.0 -33.1 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.089 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.88 -44.39 96.22 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -51.77 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.792 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.6 pp0? -63.93 -32.06 73.46 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.869 0.366 . . . . 0.0 110.687 -175.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.39 -51.07 56.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.728 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 68.6 m -67.95 -15.21 63.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.503 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -114.21 8.6 16.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -71.71 -46.84 57.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.139 0.495 . . . . 0.0 110.917 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.76 4.08 73.2 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.86 -42.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.307 0.575 . . . . 0.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 ' HG2' ' A' ' 36' ' ' GLN . 7.2 mp -86.17 157.79 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.997 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -80.81 164.63 22.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.715 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.1 68.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.677 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -79.57 -44.9 20.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.802 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.419 ' HG2' HD23 ' A' ' 32' ' ' LEU . 62.0 tt0 -64.61 -40.88 96.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.021 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.728 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 57.0 mtm -70.59 -39.84 73.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.854 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -71.64 -32.13 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.82 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.6 t70 -61.37 -32.52 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mtp -64.95 -29.28 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.52 -41.93 93.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.079 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.498 ' HA ' ' OD2' ' A' ' 45' ' ' ASP . 20.7 ptp -80.7 -17.58 50.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.181 0.515 . . . . 0.0 110.148 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 73' ' ' GLU . 15.0 tmm? -66.52 -34.96 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.289 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.37 75.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.444 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.498 ' OD2' ' HA ' ' A' ' 42' ' ' MET . 20.5 m-20 -63.47 -22.22 66.76 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.994 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.658 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.3 t -79.34 -46.68 17.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.69 -52.43 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.482 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.408 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 17.6 p30 -69.01 -30.19 68.53 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -63.64 -46.46 85.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.957 0.408 . . . . 0.0 110.037 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 46' ' ' SER . 58.5 mt-30 -71.14 -36.84 72.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.467 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 56.2 ttp -62.18 -39.2 91.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.114 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.4 -28.36 56.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.647 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 59.6 pttt -81.92 -12.75 58.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.304 0.573 . . . . 0.0 109.772 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.696 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 60.8 ttp -79.03 -33.74 44.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.445 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.96 146.35 12.38 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.926 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.34 19.61 0.92 Allowed 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.875 2.383 . . . . 0.0 111.927 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -166.5 61.36 0.65 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HG2' HD11 ' A' ' 63' ' ' LEU . 97.7 Cg_endo -91.25 162.08 3.74 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.206 2.604 . . . . 0.0 114.434 -166.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 2.9 Cg_exo -75.19 153.04 40.59 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.115 2.543 . . . . 0.0 111.791 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -59.04 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -65.53 -23.17 66.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.635 0.255 . . . . 0.0 111.319 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.696 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 29.4 mmt180 -70.92 -44.23 66.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.95 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.2 mp -62.97 -36.78 84.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.185 -175.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.34 -18.38 64.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.59 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.74 -16.01 16.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.7 mmm -72.39 -27.49 62.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.351 0.596 . . . . 0.0 110.206 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -59.85 -51.36 70.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.407 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.7 m -63.64 -39.8 95.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.758 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.83 -46.63 87.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.9 ttm -64.14 -48.17 77.07 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.226 0.536 . . . . 0.0 109.857 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.85 73.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.014 -176.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.22 75.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.238 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HB3' ' HG2' ' A' ' 43' ' ' MET . 7.7 mm-40 -73.65 -42.28 61.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.512 . . . . 0.0 109.934 178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.21 -28.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.56 -31.32 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.171 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -60.67 -53.96 51.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.275 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 80' ' ' THR . 34.5 m -67.7 -29.91 46.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.977 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.7 t -72.41 -43.47 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.803 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -21.99 66.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 77' ' ' VAL . 0.7 OUTLIER -79.36 -5.91 55.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 111.122 -177.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 15.1 m -90.93 128.94 45.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.896 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 81' ' ' SER . 24.0 Cg_exo -64.61 150.35 88.35 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.549 2.166 . . . . 0.0 111.285 173.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.03 -29.05 53.01 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.133 2.556 . . . . 0.0 112.711 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.04 -28.63 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.817 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 m -122.01 -1.56 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.924 0.392 . . . . 0.0 110.814 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -62.07 -46.01 91.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.356 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -29.71 69.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.525 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.55 -36.46 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.1 t -68.85 -35.67 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.895 177.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -58.2 7.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.55 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -66.74 -36.33 82.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.14 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.7 m -60.54 -51.16 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.0 mm -57.25 -49.54 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -44.88 96.97 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.012 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.76 -51.56 54.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.685 0.279 . . . . 0.0 111.066 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.07 -38.18 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.866 -176.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tt -73.04 -39.38 66.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 110.402 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.449 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.1 ttm180 -64.57 -35.56 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 111.133 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 25.7 mm-40 -74.91 -58.09 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.056 0.455 . . . . 0.0 110.314 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.479 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 30.8 p -54.84 -35.15 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.472 -173.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 107' ' ' SER . 25.1 ttt -56.46 -47.62 78.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.144 0.278 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.42 -13.82 45.16 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.629 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.479 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.3 OUTLIER -67.33 -26.49 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.707 173.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.561 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -70.53 -70.23 0.31 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.3 t 164.11 -19.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.538 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.26 16.11 50.31 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.443 -176.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 101' ' ' MET . 55.8 m 62.28 179.89 0.13 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.013 0.435 . . . . 0.0 110.969 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.483 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 2.8 p -116.67 102.32 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.687 0.756 . . . . 0.0 109.716 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.92 145.05 47.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.221 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -75.62 -23.82 56.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.688 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.31 8.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.305 -0.158 . . . . 0.0 110.794 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.1 -57.13 12.23 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.576 0.547 . . . . 0.0 111.091 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.6 p -58.49 -41.81 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.222 0.534 . . . . 0.0 110.856 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -65.0 -47.03 78.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.99 -50.51 71.79 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 122.795 0.438 . . . . 0.0 110.84 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 120' ' ' VAL . 95.3 t -59.77 -43.6 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.83 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -50.51 69.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.412 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -67.77 -42.05 82.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.51 -50.35 74.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.712 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 116' ' ' VAL . 93.1 t -56.42 -42.27 74.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.756 0.313 . . . . 0.0 110.861 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.485 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . 0.2 OUTLIER -67.73 -50.65 56.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.569 178.7 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.4 tmm? -63.48 -24.69 67.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.768 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.2 mt -93.18 5.38 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -131.79 -59.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.972 0.415 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.738 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.576 HD13 ' SD ' ' A' ' 18' ' ' MET . 12.3 tt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.556 ' HB2' HD22 ' A' ' 63' ' ' LEU . 92.4 m95 -71.59 -4.23 25.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -84.22 -6.89 59.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.758 0.314 . . . . 0.0 110.92 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -130.42 99.8 18.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 109.987 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 67.2 Cg_exo -51.66 -43.46 50.68 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.468 2.779 . . . . 0.0 113.716 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.08 -44.6 87.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.858 0.361 . . . . 0.0 110.449 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.29 70.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.823 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -62.66 -43.04 99.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.041 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.659 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.3 mmt -68.62 -29.27 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.324 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -58.73 -43.9 90.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.576 ' SD ' HD13 ' A' ' 8' ' ' ILE . 25.8 mtm -60.57 -56.0 26.59 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.511 0.672 . . . . 0.0 110.04 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -60.2 -42.32 94.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.984 -171.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.75 -41.87 91.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 110.487 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 78.9 m-20 -66.9 -35.8 80.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.21 -49.66 76.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.912 0.387 . . . . 0.0 110.321 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.38 -46.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.832 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -69.5 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.61 -175.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.43 -49.67 68.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -66.78 -26.12 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.0 t -75.4 -17.83 60.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.59 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -116.56 18.51 15.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.388 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.0 p -77.13 -44.59 29.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.367 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 -1.16 76.37 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -173.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -101.58 -36.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.861 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 19.0 mt -85.66 179.36 7.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 37' ' ' MET . 10.0 t -119.13 166.52 12.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.888 0.375 . . . . 0.0 110.669 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.59 -43.23 99.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.431 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.36 -29.07 65.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.233 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.1 mtt -68.19 -37.08 80.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.57 -38.83 77.55 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.65 -35.74 81.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.192 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.66 -37.12 86.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.8 83.42 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.593 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.64 -24.44 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -63.29 -40.99 98.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.72 91.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.024 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.95 -39.9 91.29 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -59.79 -40.37 88.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.038 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.47 -56.74 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.783 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.659 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 22.6 p30 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 t -65.48 -53.08 47.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -64.08 -36.4 83.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.887 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.551 ' SD ' ' HB3' ' A' ' 15' ' ' ALA . 46.0 ttp -64.56 -41.08 96.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.24 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -67.55 -20.33 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -99.29 3.83 46.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.256 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.433 ' HE1' ' HB3' ' A' ' 9' ' ' TRP . 11.1 ttp -77.47 -43.87 30.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.931 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.98 127.58 5.15 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.583 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.89 142.91 99.0 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 41.3 m-80 59.07 54.63 5.01 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 40.5 Cg_endo -95.84 174.36 0.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.997 2.464 . . . . 0.0 112.937 -173.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.86 155.61 53.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.443 2.095 . . . . 0.0 110.594 171.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -69.37 -14.33 62.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -172.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -68.9 -21.65 64.22 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.337 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -74.68 -50.73 16.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 110.056 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 9' ' ' TRP . 15.8 mt -63.68 -45.42 90.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.738 -176.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -60.24 -23.75 64.31 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.997 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.18 -0.82 57.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.455 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 97.2 mmm -103.07 -34.16 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.539 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -44.49 95.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.603 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.541 HG23 ' CD2' ' A' ' 119' ' ' LEU . 41.6 m -69.13 -29.21 67.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.45 . . . . 0.0 110.722 176.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.19 -50.69 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.203 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.5 ' O ' HG22 ' A' ' 74' ' ' VAL . 34.3 ttm -57.99 -47.36 83.24 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.033 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.67 -40.75 72.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.572 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.83 67.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 42.8 mm-40 -63.75 -44.38 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 70' ' ' MET . 28.7 m -76.96 -22.38 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.5 71.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.14 -41.47 92.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.51 -42.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.144 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.78 -36.77 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.888 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.51 -27.2 68.42 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.4 m -71.66 -19.25 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 111.351 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -71.57 130.33 87.48 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.513 -174.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.53 143.03 98.57 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.523 2.149 . . . . 0.0 111.094 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -31.97 76.26 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.908 2.405 . . . . 0.0 112.903 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -85.21 2.15 45.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.582 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.2 t -125.2 -10.07 7.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 109.938 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -54.78 -46.25 74.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.527 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 m -57.02 -39.15 74.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.281 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.89 64.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.043 0.449 . . . . 0.0 110.459 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 93' ' ' ILE . 77.3 t -68.57 -48.0 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.708 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -59.02 -43.52 91.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.552 -178.66 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -64.38 -32.83 74.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -66.11 -41.94 89.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.865 0.364 . . . . 0.0 110.2 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 89' ' ' VAL . 51.3 mm -58.8 -52.09 64.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.669 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.4 99.48 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.732 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.37 -52.73 63.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.649 0.261 . . . . 0.0 111.284 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 97.2 m -64.27 -42.94 96.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.89 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.657 0.265 . . . . 0.0 110.435 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -56.35 -53.88 52.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.816 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 9.8 pt-20 -69.75 -42.8 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.181 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.6 m -58.37 -38.96 78.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.409 ' HA ' ' HG2' ' A' ' 18' ' ' MET . 21.7 ttt -64.62 -52.56 56.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 111.263 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 19.0 ptm -74.68 -24.42 58.78 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.136 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -61.05 -28.28 68.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.891 177.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -71.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.7 t 174.91 -31.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.953 0.406 . . . . 0.0 110.957 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.64 11.09 65.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.465 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 m 63.23 -175.43 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.026 0.441 . . . . 0.0 111.196 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.417 HG23 HG21 ' A' ' 113' ' ' THR . 2.0 p -106.74 107.65 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 121.736 0.779 . . . . 0.0 110.006 -176.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -71.77 150.23 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.709 -175.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -81.17 -26.48 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.231 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -92.32 -43.26 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.701 0.286 . . . . 0.0 110.554 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.412 ' O ' HG23 ' A' ' 116' ' ' VAL . 34.3 t80 -53.92 -58.51 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.664 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.417 HG21 HG23 ' A' ' 108' ' ' VAL . 38.3 p -61.58 -40.97 96.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -65.72 -40.78 92.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.615 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.85 -50.16 69.94 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.0 t -54.09 -52.69 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.142 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 49.2 mmm -73.11 7.1 2.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -107.81 -54.19 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.541 ' CD2' HG23 ' A' ' 68' ' ' THR . 9.8 mp -70.45 -36.07 73.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.126 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.14 -36.82 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.194 0.521 . . . . 0.0 110.461 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -78.8 -49.31 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.397 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 59.8 ttp -66.56 -34.16 77.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.324 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.3 mt -83.44 4.72 26.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.122 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.3 p -130.37 -68.2 0.7 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.914 0.388 . . . . 0.0 110.169 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.865 -179.609 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.2 tt . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.394 0.616 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -89.05 9.14 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.701 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -36.68 83.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.836 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.67 134.42 23.51 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.302 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.1 -38.99 93.2 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.423 2.748 . . . . 0.0 113.133 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.87 -43.49 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.256 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.25 59.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -57.27 -55.91 28.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.257 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.413 ' SD ' ' HE2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -62.05 -29.41 70.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.12 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.531 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 0.0 OUTLIER -70.6 -28.85 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.473 -175.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -71.41 -42.77 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.644 0.259 . . . . 0.0 110.727 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.16 -44.79 75.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.676 0.274 . . . . 0.0 110.89 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.71 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.25 -48.69 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.77 -47.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.035 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.51 -31.26 72.4 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.48 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -66.93 -47.73 70.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.213 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.58 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.512 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.2 t -66.86 -21.58 66.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -112.06 11.81 20.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -75.51 -45.79 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.23 4.47 86.39 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.52 -41.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.096 0.474 . . . . 0.0 110.551 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mp -83.02 157.94 22.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.415 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 p -77.02 168.3 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.92 -24.52 67.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 110.236 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.15 -50.28 10.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.611 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -52.41 -44.31 65.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.818 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.9 mtm -66.19 -35.31 80.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.195 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.49 -34.74 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.481 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.19 -39.53 82.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 0.0 110.091 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mtp -70.09 -33.98 72.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.52 -48.86 84.1 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.258 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -72.03 -23.37 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 110.535 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.09 -42.76 96.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.772 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.59 82.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -63.21 -41.7 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.041 0.448 . . . . 0.0 110.273 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.5 t -62.08 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.549 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.43 -38.94 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.671 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -49.94 -54.29 20.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.134 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -63.11 -41.19 99.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.687 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 49.9 mt-30 -72.97 -32.72 65.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.704 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.413 ' HE2' ' SD ' ' A' ' 16' ' ' MET . 15.9 tmm? -72.08 -41.77 66.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.874 0.369 . . . . 0.0 110.455 176.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.77 -31.7 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.518 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 62.7 pttt -72.02 -15.84 62.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.001 0.429 . . . . 0.0 110.395 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 35.9 ttp -82.25 -44.02 16.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.178 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 -177.03 53.5 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.512 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 152.55 51.61 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.351 2.701 . . . . 0.0 112.426 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.404 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 94.1 m-20 51.7 64.83 7.22 Favored Pre-proline 0 N--CA 1.466 0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.3 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' A' ' 54' ' ' MET . 4.5 Cg_exo -77.74 128.57 9.44 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.799 2.333 . . . . 0.0 112.614 -176.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.15 163.25 29.64 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.535 2.157 . . . . 0.0 111.447 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -55.65 -40.84 72.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -68.38 -11.8 60.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.532 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 23.0 mmt180 -83.12 -46.35 12.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.284 -0.26 . . . . 0.0 110.61 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.468 HD22 ' H ' ' A' ' 63' ' ' LEU . 2.2 mm? -64.64 -33.99 77.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.192 0.52 . . . . 0.0 109.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -66.13 -23.78 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.886 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.27 -34.24 20.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.845 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.29 -38.7 81.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.19 -40.17 92.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.479 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 m -76.89 -32.75 57.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.49 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.3 -46.03 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.5 ttm -69.41 -50.56 44.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.359 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.67 -43.17 80.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.649 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.18 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 58.6 mm-40 -76.38 -43.39 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 77' ' ' VAL . 22.7 m -75.16 -17.62 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.759 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.88 55.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.273 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.8 -49.98 75.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 74' ' ' VAL . 11.2 m -69.16 -27.74 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 110.728 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 120' ' ' VAL . 61.1 t -73.59 -38.62 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.197 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.78 -28.45 69.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.675 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 m -72.67 -10.74 60.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.068 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.4 m -93.6 114.89 64.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 84' ' ' GLN . 72.1 Cg_endo -77.07 167.47 24.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.624 2.216 . . . . 0.0 112.129 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -68.3 29.86 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.278 2.652 . . . . 0.0 113.572 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' A' ' 82' ' ' PRO . 75.9 mt-30 -127.55 -2.9 6.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.12 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -152.94 14.95 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 111.059 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.41 -50.75 43.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.485 -176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.674 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 38.8 m -76.57 8.3 3.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.25 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.98 -41.14 6.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 93' ' ' ILE . 94.5 t -76.97 -50.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.17 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -38.97 76.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.239 0.542 . . . . 0.0 109.778 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.674 ' HB2' ' O ' ' A' ' 87' ' ' SER . 8.9 t-20 -56.37 -49.01 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.23 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 m -64.33 -42.81 96.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.073 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -58.2 -56.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.9 -35.77 92.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.717 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -70.57 -54.97 9.99 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 111.149 -177.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.53 -29.9 70.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.995 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -66.76 -54.45 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.954 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 3.2 ptp180 -61.47 -41.23 96.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.486 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 40.3 mm-40 -58.99 -56.07 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 111.075 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.531 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 23.4 m -56.87 -35.45 68.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.711 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.7 mmm -54.47 -54.3 42.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.54 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.1 ptm -78.28 -18.26 55.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.399 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -77.97 -18.7 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.57 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.02 -62.47 1.66 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.2 t 165.65 -20.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.67 0.606 . . . . 0.0 111.25 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.76 15.93 34.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.76 -173.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.2 p 52.25 -172.16 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.447 0.699 . . . . 0.0 111.768 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.37 91.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.954 0.407 . . . . 0.0 110.004 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.59 111.02 9.37 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -65.29 -38.1 89.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.253 -174.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.67 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.311 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 116' ' ' VAL . 88.6 t80 -60.54 -55.24 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 p -58.43 -42.87 88.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.525 0.203 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.65 -43.17 99.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.361 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.71 -42.17 86.8 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-O 120.699 0.285 . . . . 0.0 110.58 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 120' ' ' VAL . 98.6 t -58.83 -51.75 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.057 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.432 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.7 mmt -53.67 -47.11 70.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.796 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -54.29 -57.34 11.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.34 -49.88 72.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.051 -176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 116' ' ' VAL . 79.5 t -53.53 -48.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.688 0.28 . . . . 0.0 111.421 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -68.7 -43.77 75.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.82 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 47.7 ttp -66.68 -30.52 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.994 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.19 5.24 42.45 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 p -135.34 -69.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.717 -177.857 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 tt . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -70.94 -5.37 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.289 0.495 . . . . 0.0 111.034 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -18.6 64.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 175.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -130.53 103.79 16.21 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.875 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.9 -35.71 71.83 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.842 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.84 -43.87 97.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.383 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.21 -43.28 74.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.142 0.496 . . . . 0.0 110.733 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -63.52 -41.45 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.001 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -69.4 -37.37 77.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.173 177.514 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.9 m -59.29 -48.47 81.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.386 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -64.28 -36.59 84.58 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.091 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -79.74 -34.28 40.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.787 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.515 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 81.4 m-20 -68.37 -23.91 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.9 -37.71 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.73 -46.18 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.77 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 5.3 pp0? -68.49 -35.36 77.42 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.881 -175.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.81 -45.89 70.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.352 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -69.44 -24.19 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.655 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.1 t -70.18 -19.68 63.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -113.42 21.95 14.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.265 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.2 p -82.69 -43.6 16.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.261 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.63 12.57 71.98 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.95 -43.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.569 -0.315 . . . . 0.0 111.241 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 49.8 mt -77.77 173.67 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.276 0.56 . . . . 0.0 111.675 -174.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -96.65 169.49 9.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.349 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 -28.72 68.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.503 . . . . 0.0 109.764 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.15 -52.39 23.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.945 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 40' ' ' MET . 77.2 mt-30 -57.45 -49.08 77.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.894 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.655 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.0 mtm -61.48 -37.26 82.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.64 -38.31 29.41 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.753 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.33 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.379 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.2 mtp -60.31 -36.24 77.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.145 0.497 . . . . 0.0 110.624 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.17 -24.08 76.83 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.721 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.7 mtm -85.07 -31.81 23.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.397 0.142 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 1.5 ptt? -70.22 -33.5 71.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.43 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -61.3 -28.84 69.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.224 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.21 -46.46 88.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.1 m -64.77 -28.07 69.32 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.937 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.39 -54.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -70.93 -28.25 64.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.178 -178.72 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -59.82 -42.77 94.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.056 0.455 . . . . 0.0 109.932 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.94 -30.66 56.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.706 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.489 ' O ' ' HB3' ' A' ' 54' ' ' MET . 52.2 ttp -70.16 -34.45 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 54.9 mt-30 -66.61 -27.65 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 110.307 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -89.18 10.79 20.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.624 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.711 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 39.4 ttm -89.49 -44.94 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.914 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.39 166.92 20.29 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.171 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.6 20.05 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.174 2.583 . . . . 0.0 112.55 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -167.51 84.69 0.8 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.711 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 37.7 Cg_endo -66.66 123.73 11.45 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 123.15 2.567 . . . . 0.0 114.347 -170.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.37 157.33 33.02 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.908 2.405 . . . . 0.0 110.515 167.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -59.11 -32.5 69.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -70.25 -12.78 61.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.255 -178.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.12 -43.18 12.46 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.52 -43.92 97.99 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -30.51 71.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.885 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.8 -43.87 12.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 95.8 mmm -63.98 -36.46 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -172.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -64.61 -34.93 79.42 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.492 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -84.07 -39.08 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.952 0.405 . . . . 0.0 110.353 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.38 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -72.33 -43.32 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.98 -32.64 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.45 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.61 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.523 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -76.06 -30.95 58.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.5 m -74.4 -23.39 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.41 -18.69 59.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.017 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -61.2 -49.29 77.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.14 -24.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.714 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 86' ' ' TYR . 23.3 t -78.57 -30.6 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.171 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.78 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -80.34 -0.7 37.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.346 0.594 . . . . 0.0 110.369 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -101.58 123.27 44.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.22 147.78 74.23 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.669 2.246 . . . . 0.0 111.838 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.03 -39.19 25.19 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.574 2.849 . . . . 0.0 114.117 -175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.51 -24.65 60.18 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m -102.63 -8.79 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.382 0.611 . . . . 0.0 109.988 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.525 ' CE2' HG12 ' A' ' 78' ' ' VAL . 41.4 t80 -60.1 -43.79 95.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.389 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 m -56.09 -35.95 67.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.807 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.07 -36.49 64.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.168 0.509 . . . . 0.0 110.212 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.24 -45.31 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.589 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 90' ' ' LEU . 1.6 tm? -57.54 -50.12 74.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.734 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -60.49 -37.13 80.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -61.16 -49.98 75.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.48 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mm -59.07 -48.34 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.589 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.41 -47.76 89.53 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 113.005 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.29 69.68 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.944 0.402 . . . . 0.0 111.003 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.11 -38.06 89.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.641 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.98 -43.99 94.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.514 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -57.04 -56.27 23.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 102' ' ' MET . 9.8 pt-20 -63.77 -40.78 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.544 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.7 m -58.16 -31.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.98 -40.47 83.12 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.823 0.344 . . . . 0.0 110.794 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 14.7 ptm -83.08 -19.32 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.507 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -71.98 -21.25 61.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.087 0.47 . . . . 0.0 109.857 172.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.48 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -82.04 -69.18 0.64 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.327 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.1 t 173.37 -24.15 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.376 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.06 7.26 71.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.906 -172.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.6 t 63.22 -165.71 0.24 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.913 0.356 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.4 t -106.76 102.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.06 160.03 32.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.232 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -117.76 2.05 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -173.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.48 -49.89 2.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.672 0.273 . . . . 0.0 110.477 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 116' ' ' VAL . 66.3 t80 -60.57 -61.6 2.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.677 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -30.68 68.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.29 0.567 . . . . 0.0 110.913 -177.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.514 ' O ' ' HB2' ' A' ' 117' ' ' MET . 35.3 t30 -74.04 -46.22 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.24 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.52 -31.29 65.2 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 122.274 -0.266 . . . . 0.0 110.59 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 120' ' ' VAL . 53.7 t -59.49 -43.95 91.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 170.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.514 ' HB2' ' O ' ' A' ' 114' ' ' ASN . 2.9 mmt -54.11 -51.12 65.22 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 174.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.88 -42.06 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.698 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.99 -48.76 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.516 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 116' ' ' VAL . 95.4 t -56.49 -42.87 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.719 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.462 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 49.1 mttt -60.97 -46.43 90.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.194 178.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -82.19 -26.49 33.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.429 -173.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -93.03 15.26 15.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.726 0.298 . . . . 0.0 111.474 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 p -123.66 -64.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.373 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.39 -177.75 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' ILE . 5.1 tp . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -79.85 29.47 0.26 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 111.244 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.85 -42.29 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.09 0.471 . . . . 0.0 111.348 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -116.49 121.06 33.78 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.237 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.716 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.9 Cg_endo -53.87 -39.2 85.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.935 2.423 . . . . 0.0 112.524 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -65.8 -41.76 91.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.602 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.94 66.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.009 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.24 91.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.663 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -61.99 -39.22 91.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.62 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.429 HG21 ' HA ' ' A' ' 104' ' ' ALA . 84.0 m -57.92 -51.04 71.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.336 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -27.69 66.52 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.235 -177.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -71.11 -48.21 53.56 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.962 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.84 -35.51 80.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.628 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.488 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m-80 -65.4 -27.12 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.013 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.32 -42.35 98.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.6 t -68.11 -47.28 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.488 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 5.3 pp0? -65.76 -35.03 79.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.733 0.301 . . . . 0.0 110.813 -176.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -69.57 -43.39 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -70.24 -27.87 64.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.609 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.687 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.7 t -68.99 -20.62 64.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -105.62 10.13 33.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.206 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -72.02 -47.05 54.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.066 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.31 11.52 82.04 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.4 t -111.28 -36.08 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 35.5 mt -79.82 173.53 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.335 0.588 . . . . 0.0 110.912 -176.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.4 p -98.06 168.68 10.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.992 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.9 -27.71 66.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.256 0.551 . . . . 0.0 109.939 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.56 -48.32 33.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.124 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.87 -44.04 97.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.749 -175.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.687 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 71.1 mtm -68.64 -28.11 66.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.922 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.62 -37.48 65.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.905 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.567 ' HB3' HG12 ' A' ' 77' ' ' VAL . 2.8 m-20 -61.43 -34.13 74.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.026 0.441 . . . . 0.0 110.482 176.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.422 ' O ' ' HG3' ' A' ' 43' ' ' MET . 82.5 mtp -65.12 -37.91 88.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.482 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.82 -42.6 96.96 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.479 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.2 ptp -75.82 -27.94 58.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.54 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.68 -28.68 51.17 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.635 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.64 74.71 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.336 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -59.71 -47.25 86.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.476 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -65.9 -28.69 69.13 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' MET . 71.7 t -62.07 -53.93 41.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.77 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.507 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.2 p-10 -68.0 -32.9 73.61 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.286 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -59.23 -52.53 65.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.979 0.419 . . . . 0.0 110.095 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -70.1 -42.94 72.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.518 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.716 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.6 tmm? -68.58 -39.59 80.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.01 -175.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.106 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.64 -11.99 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.281 175.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.475 ' HB3' ' O ' ' A' ' 51' ' ' MET . 41.7 ttp -69.51 -37.02 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.623 174.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 87.08 163.69 39.19 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.923 174.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -76.49 149.94 31.37 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.502 2.135 . . . . 0.0 111.931 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.531 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 45.6 m-80 61.36 53.21 2.67 Favored Pre-proline 0 N--CA 1.467 0.408 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.911 -177.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 10.1 Cg_endo -89.8 157.97 5.08 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.97 2.447 . . . . 0.0 113.01 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 14.8 Cg_exo -67.23 139.06 48.98 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.7 2.266 . . . . 0.0 110.999 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.24 -24.23 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -71.02 -19.65 62.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.462 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -75.69 -50.49 15.25 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.1 mp -58.55 -36.05 73.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.116 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -51.99 -51.55 56.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.658 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.48 -25.61 57.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.451 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -40.44 76.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -63.03 -50.52 70.32 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.6 m -60.45 -45.83 92.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.459 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.18 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.338 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.443 ' O ' HG23 ' A' ' 74' ' ' VAL . 15.0 tmm? -67.44 -46.87 71.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.972 0.415 . . . . 0.0 109.933 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.85 78.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.494 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.78 86.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.03 -29.06 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.972 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.653 ' O ' HG22 ' A' ' 77' ' ' VAL . 83.0 t -69.49 -40.47 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 171.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -58.44 -36.19 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 176.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -59.65 -41.19 89.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.339 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.4 m -71.83 -28.2 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.463 . . . . 0.0 109.878 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' VAL . 47.5 t -77.91 -26.9 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.983 0.421 . . . . 0.0 110.36 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -12.29 60.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.013 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 t -78.05 -7.71 57.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 110.199 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m -88.62 130.5 45.06 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.79 160.69 47.17 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.022 1.815 . . . . 0.0 110.523 170.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.61 -28.03 27.69 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.042 2.495 . . . . 0.0 113.463 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.85 -56.84 6.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.645 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.4 p -86.91 -7.05 58.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.09 -46.8 65.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.411 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -59.39 -38.86 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.327 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.42 -33.66 67.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.232 0.539 . . . . 0.0 110.443 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.63 -48.74 63.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.357 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 90' ' ' LEU . 0.8 OUTLIER -57.3 -49.7 75.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.226 -177.351 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -62.53 -31.66 72.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -68.79 -41.7 78.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.548 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.72 -49.58 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.09 -22.21 68.67 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.269 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.26 -52.52 7.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 110.708 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.52 -39.98 94.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.964 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 97' ' ' LEU . 2.5 tm? -65.44 -29.84 70.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.305 0.574 . . . . 0.0 109.917 -178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -71.57 -38.64 70.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.656 -178.708 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 9.8 pt-20 -82.36 -39.51 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.889 -174.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 34.3 p -61.87 -31.52 71.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.767 -176.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.422 ' HB3' ' O ' ' A' ' 107' ' ' SER . 61.5 mmm -56.45 -49.36 74.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 ptp -80.5 -28.23 37.52 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.056 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.13 -29.74 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.419 . . . . 0.0 110.618 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.47 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -69.12 -69.42 0.33 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.3 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 10.2 t 166.62 -25.38 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.258 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.2 1.75 59.04 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.392 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 101' ' ' MET . 36.2 m 63.49 172.78 0.16 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.08 0.467 . . . . 0.0 110.376 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -103.12 100.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.781 0.8 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.36 150.33 31.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.452 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -82.49 -34.75 27.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.254 -176.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.88 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.703 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.34 -58.42 7.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 117' ' ' MET . 17.5 p -55.16 -48.58 73.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.292 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -56.85 -50.32 72.79 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.927 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.32 -43.78 89.91 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.521 0.2 . . . . 0.0 110.888 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 120' ' ' VAL . 70.5 t -59.38 -49.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 113' ' ' THR . 68.1 mmm -56.46 -47.76 78.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -54.81 -49.43 71.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.3 mt -65.23 -44.26 88.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.566 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 116' ' ' VAL . 69.8 t -57.07 -43.33 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.448 . . . . 0.0 110.82 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -71.41 -43.35 66.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.121 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 49.3 ttp -73.78 -28.48 61.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.686 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.29 11.93 30.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.693 0.282 . . . . 0.0 111.105 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 p -117.61 -63.36 1.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.217 0.532 . . . . 0.0 111.064 -179.556 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 18' ' ' MET . 9.8 tt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -82.78 14.76 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -40.96 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.221 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -145.25 140.67 16.25 Favored Pre-proline 0 N--CA 1.447 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.4 Cg_exo -41.53 -50.97 4.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 124.199 3.266 . . . . 0.0 114.277 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.33 -36.49 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.557 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.13 -48.92 64.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.214 0.53 . . . . 0.0 111.235 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.31 -42.66 59.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.64 -175.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.681 0.277 . . . . 0.0 111.047 -178.382 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.3 m -59.57 -51.21 70.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.24 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.488 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.49 -26.98 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.26 -177.365 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -69.11 -44.95 71.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -68.49 -40.8 80.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 6.4 m-20 -63.74 -30.11 71.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.134 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.74 -48.96 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.489 . . . . 0.0 109.813 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.03 -47.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.245 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 21.1 pt20 -65.68 -35.51 80.97 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.794 0.331 . . . . 0.0 110.824 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.5 t -67.21 -45.83 75.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.095 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -22.09 62.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.786 -177.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -74.01 -29.62 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -103.08 15.43 29.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.389 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.0 p -71.19 -48.82 49.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.463 0.649 . . . . 0.0 110.614 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.59 -3.25 59.2 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG13 HD12 ' A' ' 32' ' ' LEU . 3.8 p -105.43 -30.64 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.989 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD12 HG13 ' A' ' 31' ' ' VAL . 8.2 mp -76.28 140.99 41.79 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.6 p -73.96 168.61 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.52 -25.68 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.596 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.22 -56.43 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.497 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 40' ' ' MET . 80.1 mt-30 -53.52 -43.02 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.481 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.3 ptp -64.82 -30.37 71.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.711 0.291 . . . . 0.0 111.062 -177.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.06 -37.91 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.078 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.1 m-20 -65.17 -25.69 67.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 82.7 mmm -59.24 -30.1 68.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.76 -49.25 56.49 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.623 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.1 ptp -65.8 -28.52 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.928 0.394 . . . . 0.0 110.611 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.9 ttp -65.99 -46.27 78.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.983 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.97 78.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.73 -45.1 91.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.619 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -37.56 83.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.53 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 43' ' ' MET . 87.7 t -61.51 -51.2 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.336 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.624 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 25.0 p30 -69.38 -26.15 64.52 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.107 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 t -62.38 -53.26 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.723 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.4 tmm? -70.9 -44.59 65.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.847 -177.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -68.29 -37.15 80.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -81.45 3.4 24.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.689 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 43.0 ttm -68.58 -37.62 80.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 149.86 17.09 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.593 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.11 140.21 82.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.59 2.194 . . . . 0.0 111.546 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 62.37 78.93 0.28 Allowed Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 109.891 -173.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.689 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.8 Cg_exo -65.76 121.67 9.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.411 2.741 . . . . 0.0 113.459 -174.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -82.96 149.87 13.88 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.51 2.14 . . . . 0.0 111.786 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.62 -26.67 68.74 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -64.58 -22.89 67.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.999 0.428 . . . . 0.0 110.449 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 66' ' ' MET . 25.8 mmt180 -82.37 -45.54 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.674 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 58' ' ' PRO . 7.9 mp -57.04 -47.4 81.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.19 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 64' ' ' ARG . 35.0 mtt180 -68.87 -4.66 17.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.976 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.22 -6.33 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.678 0.275 . . . . 0.0 110.934 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.5 mmm -88.38 -36.44 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.769 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -44.98 84.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.877 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -77.32 -29.15 53.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.891 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.51 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.461 ' O ' HG23 ' A' ' 74' ' ' VAL . 36.4 ttm -58.96 -45.09 91.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.861 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.42 -46.09 62.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.968 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.433 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -73.49 -41.14 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.945 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 70' ' ' MET . 55.6 t -66.42 -31.6 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.098 0.475 . . . . 0.0 109.813 175.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.09 76.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.338 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -57.71 -55.42 35.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.443 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.0 -29.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.484 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.7 t -80.69 -29.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.812 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.47 -23.16 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 m -88.41 11.99 15.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.12 0.486 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -89.67 134.31 32.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.104 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.55 152.76 53.04 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 122.523 2.149 . . . . 0.0 111.749 172.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.71 -51.14 10.25 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.275 2.65 . . . . 0.0 113.851 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -77.44 -4.22 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 111.535 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 89' ' ' VAL . 16.4 m -101.05 -32.22 10.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.821 0.343 . . . . 0.0 110.248 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CE2' HG12 ' A' ' 78' ' ' VAL . 58.1 t80 -52.1 -52.29 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.336 -174.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -62.44 -32.72 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.928 0.394 . . . . 0.0 111.731 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.31 -37.03 61.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.494 . . . . 0.0 109.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 93' ' ' ILE . 98.0 t -69.35 -36.75 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.812 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.451 ' HG ' ' CE ' ' A' ' 121' ' ' LYS . 3.4 tt -55.4 -53.08 60.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.441 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -66.77 -40.28 88.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.128 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.0 m -61.07 -51.63 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.4 mm -57.98 -48.05 85.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.696 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.81 -42.68 98.18 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.709 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.58 69.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.13 -42.81 95.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.671 HD12 HG23 ' A' ' 113' ' ' THR . 1.4 tm? -63.04 -43.85 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -52.86 -57.17 11.12 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.348 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.51 -53.01 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.697 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 m -50.89 -40.29 56.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.125 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.3 mmm -59.63 -49.71 76.69 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.943 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -31.11 61.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.91 -23.21 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.835 177.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -70.67 -69.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.153 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.6 t 176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.06 31.38 4.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.203 -173.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p 51.66 -171.55 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.506 0.723 . . . . 0.0 111.627 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -107.98 102.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-O 121.788 0.804 . . . . 0.0 110.135 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.73 161.06 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.239 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -111.27 -4.02 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.93 -59.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.584 0.231 . . . . 0.0 111.18 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -56.1 -53.87 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.193 0.52 . . . . 0.0 110.039 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.671 HG23 HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -58.37 -24.18 59.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.607 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -85.74 -49.76 7.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.417 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.81 -42.62 85.58 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 116.925 -0.125 . . . . 0.0 111.195 -177.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.653 ' O ' HG23 ' A' ' 120' ' ' VAL . 8.6 p -60.57 -39.53 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 1.2 mmt -60.51 -49.86 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.54 -44.71 89.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.851 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.79 -44.68 96.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.6 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 116' ' ' VAL . 84.7 t -53.37 -51.94 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.547 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.451 ' CE ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.47 -49.86 73.4 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.557 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 48.4 ttp -66.77 -29.9 69.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.924 0.392 . . . . 0.0 111.779 -175.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.61 1.03 56.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.0 p -124.11 -31.4 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.923 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.655 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.276 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.579 HD13 ' SD ' ' A' ' 18' ' ' MET . 15.9 tt . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 121.148 0.499 . . . . 0.0 112.263 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.479 ' HB2' HD12 ' A' ' 63' ' ' LEU . 91.7 m95 -77.13 23.67 0.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.985 -0.447 . . . . 0.0 111.096 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.76 -43.07 60.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -175.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -132.14 130.14 21.94 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.559 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.749 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.9 Cg_exo -40.79 -53.03 3.01 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 124.54 3.494 . . . . 0.0 114.73 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -56.92 -38.56 73.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.342 . . . . 0.0 111.51 -175.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.58 65.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.09 0.471 . . . . 0.0 111.098 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.73 74.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.116 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.637 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.46 -38.41 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.28 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 m -59.11 -41.17 87.54 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.622 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.579 ' SD ' HD13 ' A' ' 8' ' ' ILE . 27.7 mtm -58.09 -48.48 80.04 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.589 0.709 . . . . 0.0 109.795 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -51.42 -56.7 11.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.881 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.88 -20.89 61.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 11.9 m-80 -70.35 -35.96 73.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.05 0.452 . . . . 0.0 110.248 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.95 -42.13 94.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.62 -46.58 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.097 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -68.86 -25.92 64.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.654 -177.157 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.22 -44.97 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.526 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -25.88 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 p -69.65 -41.08 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.561 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -105.26 18.64 21.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.998 0.428 . . . . 0.0 111.331 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -53.25 52.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.031 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.83 -4.77 32.32 Favored Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.583 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' CG1' HD12 ' A' ' 32' ' ' LEU . 5.5 p -101.9 -31.11 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.696 0.284 . . . . 0.0 111.19 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.455 HD12 ' CG1' ' A' ' 31' ' ' VAL . 6.6 mp -80.47 167.53 20.04 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -103.55 163.87 12.02 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.786 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 37' ' ' MET . . . -56.08 -36.19 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.105 0.479 . . . . 0.0 110.505 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -87.95 23.55 2.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.78 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG3' HG22 ' A' ' 77' ' ' VAL . 62.9 tt0 -134.91 -38.78 0.79 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.318 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.9 ptp -75.38 -25.25 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.196 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -72.34 -37.55 68.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 110.558 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.14 -25.56 66.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.563 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.452 ' HB2' ' O ' ' A' ' 37' ' ' MET . 71.5 mmm -59.66 -33.59 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.441 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -48.99 75.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptp -76.72 -18.25 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.797 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . 13.0 tmm? -62.99 -43.99 97.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.21 -42.68 99.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.546 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t -68.12 -29.45 68.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.572 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 43' ' ' MET . 58.4 t -65.01 -54.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.644 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -66.52 -25.35 66.64 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.982 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.9 m -63.56 -55.69 21.85 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 120.827 0.346 . . . . 0.0 110.516 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -69.87 -33.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.435 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.749 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 3.0 tmm? -68.14 -53.42 25.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.893 -174.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -66.48 -32.84 74.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.734 0.302 . . . . 0.0 111.203 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -67.05 -8.33 29.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.52 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.8 mtm -69.92 -34.53 73.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.794 0.331 . . . . 0.0 110.36 173.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.19 167.94 13.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.419 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.2 -14.66 25.75 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.982 2.455 . . . . 0.0 112.193 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.57 75.69 16.32 Favored Pre-proline 0 C--N 1.313 -1.008 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.159 -177.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HG2' HD11 ' A' ' 63' ' ' LEU . 73.8 Cg_endo -78.23 128.51 9.01 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.757 2.304 . . . . 0.0 112.826 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' HD22 ' A' ' 63' ' ' LEU . 60.0 Cg_endo -74.98 167.98 25.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.417 2.078 . . . . 0.0 111.651 175.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -56.41 -35.85 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -68.1 -12.25 60.53 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -92.84 -49.96 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.856 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -57.25 -46.86 82.62 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.325 -176.77 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 5.5 ptt180 -63.86 -34.74 78.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.065 -175.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.509 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -80.32 -26.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.989 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 tpt -68.13 -30.92 70.18 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -60.21 -47.17 87.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.0 m -59.14 -37.7 77.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.703 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.35 54.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.1 ttp -67.86 -40.02 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.072 0.463 . . . . 0.0 110.246 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.54 79.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.926 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 76' ' ' GLU . . . -70.09 -43.46 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.704 0.288 . . . . 0.0 110.596 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.5 -40.29 78.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.268 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 78' ' ' VAL . 28.5 m -82.87 -30.68 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.321 178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 16.3 mm-40 -59.32 -41.88 90.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.296 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 74' ' ' VAL . 6.3 p -81.77 -27.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.803 -177.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 74' ' ' VAL . 77.1 t -70.81 -32.43 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 176.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -10.74 39.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.816 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -75.26 -18.14 60.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.16 0.505 . . . . 0.0 110.589 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -76.04 123.81 88.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.84 150.8 81.37 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.61 2.207 . . . . 0.0 111.215 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.44 -35.66 36.81 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.188 2.592 . . . . 0.0 113.243 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.62 -26.67 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.911 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 m -116.67 -3.29 11.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.232 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -59.67 -50.66 72.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.464 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 m -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.96 -37.98 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.57 . . . . 0.0 110.288 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.2 t -72.25 -45.47 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.265 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -47.03 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.797 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.11 -36.29 74.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.7 m -67.82 -43.51 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.513 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.8 mm -59.2 -46.69 91.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.509 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.75 -39.18 97.64 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 113.013 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.52 -47.47 60.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.786 0.327 . . . . 0.0 111.011 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.7 m -63.55 -37.21 86.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -36.74 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.498 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 10.2 mmt180 -59.48 -56.8 17.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.641 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.05 -37.37 81.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.806 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.2 m -54.42 -35.85 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.464 ' SD ' ' HD2' ' A' ' 112' ' ' PHE . 48.0 mtp -69.19 -49.13 59.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.765 0.317 . . . . 0.0 111.582 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.5 ptm -74.96 -26.28 59.48 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.537 -174.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.94 -20.06 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.405 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.55 -66.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.422 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t 177.19 -33.04 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.55 27.42 8.71 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.415 -0.898 . . . . 0.0 114.118 -169.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.8 p 48.86 -164.72 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.98 0.512 . . . . 0.0 111.987 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.02 92.52 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.9 155.33 38.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.809 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -92.08 -5.97 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.499 -174.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -110.6 -53.71 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.265 -0.272 . . . . 0.0 111.539 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HD2' ' SD ' ' A' ' 101' ' ' MET . 84.2 t80 -56.21 -50.29 71.67 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.079 0.237 . . . . 0.0 111.273 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.448 HG23 ' SD ' ' A' ' 101' ' ' MET . 35.7 p -57.21 -42.5 81.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.289 0.566 . . . . 0.0 110.589 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.7 -49.23 77.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.378 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 42.2 mm-40 -57.09 -51.32 69.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.52 -46.9 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.977 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.1 mmt -57.74 -48.33 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.211 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -61.17 -51.36 69.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 110.628 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.52 -47.86 68.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.551 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.39 -41.05 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.106 0.412 . . . . 0.0 111.094 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -69.48 -46.2 67.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -77.89 -28.43 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.209 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.22 -9.24 59.57 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.293 -0.255 . . . . 0.0 111.38 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -64.98 1.11 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.894 0.378 . . . . 0.0 110.156 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.684 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.122 -176.886 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.545 HD13 ' SD ' ' A' ' 18' ' ' MET . 19.6 tt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 121.392 0.615 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -82.82 49.6 1.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.561 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.5 p -87.36 -43.75 11.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.866 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -151.68 148.9 22.76 Favored Pre-proline 0 N--CA 1.446 -0.651 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.997 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.849 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 96.0 Cg_exo -41.63 -54.38 2.8 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 124.048 3.166 . . . . 0.0 114.061 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -59.45 -36.35 75.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.349 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -52.33 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 111.594 -176.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -78.72 -36.57 43.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.528 -173.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.498 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.6 OUTLIER -63.19 -30.56 71.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.739 179.668 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.564 HG21 ' HA ' ' A' ' 104' ' ' ALA . 54.5 m -57.44 -54.32 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.367 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.545 ' SD ' HD13 ' A' ' 8' ' ' ILE . 25.3 ptt? -65.09 -36.38 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.68 -177.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -63.9 -44.42 93.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.996 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -70.08 -40.93 74.7 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.167 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.0 m-20 -65.54 -30.12 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.128 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.88 -46.23 90.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.147 0.499 . . . . 0.0 109.914 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.5 t -64.1 -48.44 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.473 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.85 -26.65 67.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.059 -175.145 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.57 -50.85 11.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.993 0.425 . . . . 0.0 110.314 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.48 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.175 -174.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -66.15 -27.53 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 111.304 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -109.09 22.22 16.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 -177.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 p -72.37 -37.15 68.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.12 3.57 75.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -173.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -103.36 -44.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.98 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.447 HD22 ' OE1' ' A' ' 36' ' ' GLN . 31.6 mt -77.69 -178.68 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.06 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' H ' ' A' ' 36' ' ' GLN . 9.1 t -117.1 166.81 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.023 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -30.59 65.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.486 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.35 -49.71 39.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.492 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 40' ' ' MET . 78.7 mt-30 -60.85 -45.39 94.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.693 -176.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 ptp -64.58 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.12 -38.4 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -66.36 -28.38 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.49 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.6 mtp -65.87 -27.83 68.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.428 . . . . 0.0 110.036 174.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.75 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.873 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ptp -76.53 -23.89 53.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.04 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.4 tmm? -63.92 -44.5 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 172.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.31 73.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.525 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.53 -32.51 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.257 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 t -69.55 -34.56 74.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 43' ' ' MET . 47.7 t -67.78 -57.3 9.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.25 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -66.99 -24.79 66.07 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.716 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -66.24 -47.98 72.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -80.39 -36.76 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.844 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.849 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.0 tmm? -61.52 -47.66 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.631 0.373 . . . . 0.0 111.876 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -68.17 -29.1 67.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -94.27 9.18 39.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.55 -178.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.0 ttm -78.35 -24.74 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.11 131.15 7.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.978 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.58 123.86 13.52 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.349 2.033 . . . . 0.0 110.695 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 63.08 71.74 0.63 Allowed Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -168.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.47 164.95 33.73 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 123.343 2.696 . . . . 0.0 113.869 -170.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.73 145.0 50.36 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.117 2.545 . . . . 0.0 112.132 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.09 -42.62 81.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.953 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -67.91 -18.14 64.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.337 . . . . 0.0 111.409 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.36 -23.01 35.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.596 0.236 . . . . 0.0 111.146 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 mt -66.69 -51.71 52.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.856 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.31 -25.39 34.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.971 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.19 -25.67 27.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.424 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.6 tpp -78.3 -44.72 24.59 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -173.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.434 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -59.98 -32.4 70.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.566 176.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.547 HG23 ' CD2' ' A' ' 119' ' ' LEU . 25.1 m -74.22 -44.65 52.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.132 0.492 . . . . 0.0 110.259 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.32 80.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.107 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 74' ' ' VAL . 39.4 ttp -66.84 -38.56 86.62 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 116' ' ' VAL . . . -53.87 -46.97 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.969 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.5 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.299 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -69.51 -43.1 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.167 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 77' ' ' VAL . 39.9 t -70.72 -25.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.66 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -66.3 -29.48 69.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.173 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 74' ' ' VAL . 8.7 m -82.9 -30.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.069 0.461 . . . . 0.0 110.55 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.541 HG21 ' HZ2' ' A' ' 121' ' ' LYS . 48.2 t -76.1 -21.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.457 0.646 . . . . 0.0 109.994 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.43 -11.56 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.393 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -107.39 23.25 14.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.038 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.5 m -100.98 133.54 20.97 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -64.15 131.31 30.0 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.497 2.131 . . . . 0.0 111.599 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -46.09 -38.17 18.82 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.557 2.838 . . . . 0.0 113.916 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -67.77 -18.03 64.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.853 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 m -124.01 12.68 9.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.04 0.448 . . . . 0.0 110.904 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.02 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -61.83 -30.2 70.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.48 . . . . 0.0 111.495 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.08 -37.34 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.293 0.568 . . . . 0.0 109.924 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 93' ' ' ILE . 89.4 t -70.17 -36.13 66.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.928 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.572 HD22 ' HE2' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -53.18 -56.69 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.72 175.696 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -68.3 -40.33 81.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.104 -175.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.8 -40.45 79.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.221 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 89' ' ' VAL . 31.6 mm -63.25 -53.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.43 -23.31 75.13 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.032 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.56 -52.66 10.11 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.889 -0.183 . . . . 0.0 111.364 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.98 -32.58 67.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.896 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.31 -40.65 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.469 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 98' ' ' ARG . 17.9 ptt-85 -68.01 -45.13 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.545 -175.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.32 -43.39 77.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.257 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 57.5 p -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.684 0.278 . . . . 0.0 111.059 -177.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.0 ttt -62.14 -43.84 97.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.241 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.32 46.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 120.869 0.366 . . . . 0.0 110.387 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.16 -4.78 23.09 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.466 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 17' ' ' THR . . . -76.05 -70.41 0.44 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.785 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.5 t 176.08 -40.59 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.561 ' O ' ' HB2' ' A' ' 107' ' ' SER . . . -67.9 -74.24 0.6 Allowed Glycine 0 C--N 1.333 0.417 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.288 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 9.0 t 162.85 179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.45 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 3.6 p -107.68 99.35 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.847 0.832 . . . . 0.0 109.697 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.1 140.35 47.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.878 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 114' ' ' ASN . 7.7 p30 -86.05 -9.01 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -172.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.21 -42.15 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.102 0.477 . . . . 0.0 109.856 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 74.0 t80 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.23 176.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 117' ' ' MET . 63.8 p -66.26 -15.72 63.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 110' ' ' ASN . 53.9 t-20 -75.76 -66.22 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.853 178.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.27 -50.87 70.12 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.953 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 120' ' ' VAL . 9.5 p -58.84 -38.82 75.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.848 -175.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.579 ' HB2' ' O ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -57.3 -53.92 52.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -68.59 -45.49 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.547 ' CD2' HG23 ' A' ' 68' ' ' THR . 9.8 mp -63.24 -34.56 77.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 116' ' ' VAL . 43.8 t -60.98 -22.4 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.201 0.524 . . . . 0.0 110.564 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.572 ' HE2' HD22 ' A' ' 90' ' ' LEU . 14.8 mmmt -95.37 -51.1 4.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 0.0 110.096 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 55.9 ttp -60.65 -43.4 97.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.75 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.2 mt -79.31 0.86 27.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.134 0.492 . . . . 0.0 110.493 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -104.56 -64.45 1.11 Allowed 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.279 -177.74 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.501 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 71.7 m95 -81.46 64.99 6.4 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -120.38 -35.3 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.522 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -137.62 124.71 13.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.06 -176.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.711 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 93.1 Cg_exo -44.12 -43.72 12.74 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.658 2.905 . . . . 0.0 113.726 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -80.45 7.82 8.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.439 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.8 -40.46 3.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.474 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.43 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -59.89 -30.32 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 104' ' ' ALA . 37.4 m -56.72 -55.94 27.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.386 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -29.05 67.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.15 -176.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -66.03 -50.1 65.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 111.131 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -72.73 -32.9 66.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.562 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 10.2 m120 -65.25 -32.77 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.411 . . . . 0.0 110.275 176.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -45.74 91.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.02 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.32 -47.33 93.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 17.9 pt20 -70.45 -31.36 68.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.866 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.36 -45.77 68.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.183 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -67.05 -24.77 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.805 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.634 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 8.4 t -73.91 -10.76 59.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.48 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -115.13 20.18 15.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.1 p -81.51 -42.91 19.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 111.213 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.26 80.43 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.27 -45.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.101 -0.55 . . . . 0.0 110.186 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 26' ' ' ALA . 9.4 mp -73.38 139.48 45.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.474 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -82.75 169.53 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.607 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -30.22 66.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.938 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -90.17 0.42 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.406 -174.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.634 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 74.2 mtm -108.78 -0.62 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.723 173.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.5 -43.16 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -68.4 -32.97 73.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.147 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.419 ' SD ' HG21 ' A' ' 77' ' ' VAL . 57.3 mmm -60.89 -36.68 79.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.438 . . . . 0.0 110.576 172.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.66 -50.01 56.59 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.08 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -71.04 -20.9 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.42 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.5 tmm? -67.6 -45.35 75.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.57 76.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.99 0.424 . . . . 0.0 110.562 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -17.78 64.91 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.607 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 t -92.66 -32.5 14.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.238 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 43' ' ' MET . 57.3 t -62.85 -49.35 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.039 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.434 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 13.9 p30 -68.43 -27.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.267 -0.173 . . . . 0.0 111.118 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.6 t -59.28 -42.17 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 110.091 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -81.28 -36.42 29.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.021 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.711 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 17.5 tmm? -70.12 -33.65 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.471 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.1 -25.0 61.57 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.547 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -81.57 -5.21 57.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.271 175.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.505 ' HB3' ' O ' ' A' ' 51' ' ' MET . 46.3 ttm -81.87 -57.12 3.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.872 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.45 164.32 30.67 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.821 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.28 134.3 12.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.744 2.296 . . . . 0.0 112.071 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 57.57 60.7 6.46 Favored Pre-proline 0 N--CA 1.469 0.495 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.078 -173.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -86.89 170.59 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.031 2.487 . . . . 0.0 113.236 -171.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.6 136.28 21.07 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.192 1.928 . . . . 0.0 111.449 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -64.54 -16.63 62.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -68.02 -21.47 65.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.21 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 66' ' ' MET . 23.8 mmt85 -78.53 -37.57 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.503 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 64' ' ' ARG . 5.4 mpt_? -57.63 -37.72 73.79 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.79 -32.92 62.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.731 0.301 . . . . 0.0 111.516 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.485 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 93.3 mmm -67.58 -30.66 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.486 HD21 ' HD1' ' A' ' 112' ' ' PHE . 11.6 m120 -58.61 -51.28 70.57 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 119' ' ' LEU . 83.0 m -67.22 -44.02 80.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.09 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.54 80.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.797 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.438 ' O ' HG23 ' A' ' 74' ' ' VAL . 41.0 ttp -68.0 -41.69 81.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.165 -176.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.76 71.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 76' ' ' GLU . . . -62.41 -45.23 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 177.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.16 -31.09 67.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 77' ' ' VAL . 84.3 t -68.46 -39.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 0.0 110.081 173.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -60.75 -30.4 69.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.999 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 10.4 mm-40 -59.76 -43.99 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.305 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 74' ' ' VAL . 5.1 m -75.84 -21.39 15.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.233 0.539 . . . . 0.0 110.477 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 74' ' ' VAL . 52.6 t -80.16 -33.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -18.93 65.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.2 m -75.79 -11.91 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.203 0.525 . . . . 0.0 110.675 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 m -86.16 131.57 46.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -63.21 147.79 93.65 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.543 2.162 . . . . 0.0 111.11 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.93 -34.11 36.08 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.216 2.61 . . . . 0.0 113.29 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.83 -39.64 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 111.615 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m -98.13 -5.03 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.11 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.85 -47.17 74.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.429 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -58.98 -35.75 73.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.479 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.52 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 0.0 110.324 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 93' ' ' ILE . 84.6 t -72.46 -45.58 59.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.327 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 90' ' ' LEU . 1.4 tm? -57.88 -48.29 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.12 -177.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.68 -36.35 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.033 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.3 m -65.07 -41.21 95.29 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.756 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.5 mm -55.76 -53.94 31.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.226 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.13 92.74 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.65 85.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 0.0 111.278 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 88.0 m -75.2 -30.23 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 1.7 tm? -64.3 -50.13 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.411 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -59.67 -45.68 91.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.727 -176.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -59.7 -57.99 10.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.053 0.454 . . . . 0.0 111.054 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 m -50.9 -42.79 59.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.897 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 45.1 mmm -54.73 -53.38 55.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.908 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.1 ptm -78.1 -31.13 49.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.492 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.4 -20.18 66.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.542 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -67.67 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 165.02 -26.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.34 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.97 23.36 26.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.492 -172.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.9 p 52.75 -175.54 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.265 0.626 . . . . 0.0 111.722 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.0 p -110.69 99.15 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 121.686 0.755 . . . . 0.0 110.31 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.86 148.99 43.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.606 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.63 -44.58 49.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.383 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.88 83.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.667 0.27 . . . . 0.0 111.019 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.486 ' HD1' HD21 ' A' ' 67' ' ' ASN . 54.5 t80 -59.66 -45.97 90.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.254 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.1 p -64.49 -37.51 87.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.65 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -70.55 -37.89 74.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.538 0.209 . . . . 0.0 110.773 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -55.91 -55.22 35.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.895 173.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.83 -49.34 81.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.287 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.4 mmt -74.46 -1.73 22.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -175.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -108.1 -50.58 3.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.452 HD13 ' CE ' ' A' ' 122' ' ' MET . 3.2 mm? -63.87 -41.21 97.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -177.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 54.0 t -63.43 -33.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -79.71 -46.68 16.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.053 0.454 . . . . 0.0 110.273 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.452 ' CE ' HD13 ' A' ' 119' ' ' LEU . 52.8 ttp -64.17 -36.1 82.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.382 -176.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.404 HD11 HD12 ' A' ' 119' ' ' LEU . 95.3 mt -89.92 10.11 25.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.665 0.269 . . . . 0.0 111.536 -176.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.8 p -124.67 -62.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.29 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.66 175.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.662 HG12 ' SD ' ' A' ' 18' ' ' MET . 8.6 tp . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.495 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . 94.8 m95 -76.99 30.1 0.13 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.124 -0.36 . . . . 0.0 110.928 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.427 ' H ' ' C ' ' A' ' 8' ' ' ILE . 1.6 m -79.81 -43.34 22.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.329 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -147.67 152.6 41.68 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.387 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.03 -52.8 5.93 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.923 3.082 . . . . 0.0 113.654 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.2 7.15 2.94 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.562 0.696 . . . . 0.0 111.288 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.77 -56.59 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.196 0.522 . . . . 0.0 110.006 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -66.62 -46.0 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.041 -175.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.644 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -65.41 -43.66 89.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.398 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -53.02 -48.98 67.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.033 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.662 ' SD ' HG12 ' A' ' 8' ' ' ILE . 13.7 ptt? -64.58 -34.49 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.374 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.477 ' N ' ' HG3' ' A' ' 18' ' ' MET . 43.6 m -62.35 -53.63 52.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.842 -176.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -74.83 -25.63 59.14 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.644 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 55.0 m-20 -66.62 -33.92 76.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.212 0.529 . . . . 0.0 110.094 173.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.2 -38.8 91.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.59 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 44' ' ' ALA . 87.8 t -67.43 -47.12 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.911 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.82 -34.03 77.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 -177.675 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -72.13 -41.92 66.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.358 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.15 69.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -68.31 -41.9 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.55 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -102.0 25.6 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.119 0.485 . . . . 0.0 110.21 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 p -74.07 -42.1 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.844 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.42 4.81 59.38 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -173.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.25 -61.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.519 -0.341 . . . . 0.0 110.418 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.11 148.66 47.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.5 p -87.75 168.88 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.707 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.19 -30.05 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.169 0.509 . . . . 0.0 110.458 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -53.89 12.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.669 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -64.79 -35.39 80.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.698 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 ptp -71.69 -19.64 62.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.217 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.82 -34.03 57.93 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.051 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -63.62 -34.69 78.38 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.62 -40.59 88.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.483 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.56 -39.98 97.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.037 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtm -68.09 -37.05 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.427 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.2 tmm? -61.5 -48.61 80.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.141 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.81 -40.61 95.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.702 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 23.3 t -67.94 -40.65 83.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.338 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 43' ' ' MET . 86.4 t -58.26 -47.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.376 -175.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.644 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.6 p-10 -67.38 -31.78 72.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.384 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -67.67 -46.85 71.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 46' ' ' SER . 75.4 mt-30 -62.13 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.916 179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.36 -45.98 90.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.37 -29.04 63.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.228 -177.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -78.16 -21.05 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.444 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.711 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 53.4 ttp -70.37 -30.95 68.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 170.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 121.89 150.5 8.26 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.52 173.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.76 18.12 0.64 Allowed 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.026 2.484 . . . . 0.0 111.617 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 55' ' ' GLY . 1.4 t30 -166.7 69.09 1.04 Allowed Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 114.64 -1.164 . . . . 0.0 107.868 -177.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.409 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 16.7 Cg_exo -68.89 139.44 43.32 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.516 2.81 . . . . 0.0 113.805 -170.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -67.86 143.57 61.51 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.125 1.883 . . . . 0.0 110.906 171.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -53.48 -37.45 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -69.64 -20.23 63.6 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.545 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.711 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 15.1 mmt180 -74.57 -32.86 62.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.885 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.495 ' HG ' ' HB2' ' A' ' 9' ' ' TRP . 9.1 mp -63.01 -34.13 76.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 178.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.589 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.3 mpt_? -86.64 4.32 40.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.566 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.64 -15.26 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.595 173.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 86.6 mmm -89.59 -19.82 24.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.121 0.486 . . . . 0.0 110.703 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -55.24 -56.29 21.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -64.69 -37.2 86.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.27 8.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.218 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.452 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.0 tmm? -67.85 -45.87 73.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.214 -178.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.75 67.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.591 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.09 -48.53 73.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.315 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.03 -26.1 63.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.142 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 70' ' ' MET . 93.8 t -74.75 -44.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 109.925 172.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -59.52 -30.56 68.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.439 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.04 -38.66 79.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.228 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.76 -33.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 74' ' ' VAL . 15.8 t -80.51 -16.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.143 -177.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.35 29.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.968 0.414 . . . . 0.0 111.785 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 m -101.09 5.08 42.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.37 0.605 . . . . 0.0 110.382 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 m -100.75 117.45 62.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.35 146.6 97.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.848 2.365 . . . . 0.0 111.798 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -40.41 -44.87 4.34 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.127 3.218 . . . . 0.0 114.291 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -53.59 -51.1 64.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.275 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -89.08 -22.76 22.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.617 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.433 ' OH ' ' HA ' ' A' ' 121' ' ' LYS . 61.7 t80 -52.99 -45.15 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.219 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.24 -31.89 70.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.478 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.47 -37.15 57.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.12 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.3 t -69.31 -45.85 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.036 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -48.34 81.99 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.894 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.25 -37.73 81.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.843 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.8 m -61.35 -47.84 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.486 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.2 mm -57.32 -51.95 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.299 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.35 99.58 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.797 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.665 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -67.68 -53.53 26.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.669 0.271 . . . . 0.0 110.981 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.57 -37.74 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.122 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.17 -46.27 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.949 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 29.2 ptt180 -62.44 -37.74 87.05 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.273 0.558 . . . . 0.0 110.542 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.5 mm-40 -68.59 -49.6 58.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.764 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 70.2 m -54.14 -41.64 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -175.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.51 ' SD ' ' HA ' ' A' ' 108' ' ' VAL . 1.7 ptp -67.75 -38.76 83.91 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.686 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 14.2 ptm -76.85 -26.08 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.175 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.13 -21.99 60.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.117 0.484 . . . . 0.0 110.48 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.582 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.88 -62.58 1.65 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.166 175.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 164.68 -18.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.929 -177.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.99 0.56 66.12 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.648 -173.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m 62.34 -164.12 0.25 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -176.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 19.1 t -108.3 101.72 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.24 125.24 34.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.761 177.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -82.5 -1.53 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.55 -49.95 4.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -48.67 80.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 p -58.4 -44.19 88.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.324 0.583 . . . . 0.0 110.608 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -66.5 -38.01 86.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.647 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.59 -52.32 46.7 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 123.019 0.528 . . . . 0.0 110.731 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.6 t -61.69 -41.94 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -51.65 66.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 122.597 0.359 . . . . 0.0 111.26 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.83 -49.08 76.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.479 -177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.4 t -59.89 -46.34 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 110.576 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 57.3 mtpt -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.455 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.3 ttp -75.28 -39.21 59.91 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.264 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.5 mt -87.12 5.62 36.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.812 0.339 . . . . 0.0 111.249 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -110.7 -61.01 1.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.031 0.443 . . . . 0.0 110.891 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 121.886 0.851 . . . . 0.0 111.212 -174.581 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.489 HG12 ' SD ' ' A' ' 18' ' ' MET . 7.9 tp . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -82.07 25.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.351 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 8' ' ' ILE . 15.9 m -61.77 -48.54 80.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.407 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -143.21 150.98 54.08 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.8 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 82.2 Cg_exo -44.26 -50.74 7.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.935 3.09 . . . . 0.0 114.097 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -56.98 -43.77 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.29 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.064 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -69.39 -44.89 70.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.391 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.525 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -65.21 -30.54 71.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.984 -177.717 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -51.35 70.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.185 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.9 ptt? -65.66 -35.68 81.48 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.843 -177.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.419 ' HB ' ' HE1' ' A' ' 16' ' ' MET . 2.6 m -63.12 -45.08 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -67.31 -45.68 75.76 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 3.7 m-20 -63.8 -29.36 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.222 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.17 -44.72 94.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 109.957 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -47.22 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.3 pp0? -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.795 0.331 . . . . 0.0 110.603 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.19 -46.16 61.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.101 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -67.26 -22.24 65.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -70.7 -32.8 70.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.105 0.478 . . . . 0.0 110.385 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -97.95 12.74 33.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.378 -175.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -69.46 -42.69 74.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.981 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.67 3.6 88.1 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.06 -39.42 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.058 -0.571 . . . . 0.0 110.443 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 64.0 mt -83.73 168.25 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 -177.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.543 ' O ' ' HG3' ' A' ' 37' ' ' MET . 12.6 p -94.84 167.32 11.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.539 177.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.154 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.16 -40.33 62.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.205 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.51 -38.01 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.486 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.543 ' HG3' ' O ' ' A' ' 33' ' ' THR . 42.9 mtt -66.78 -37.18 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 110.089 175.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.64 -46.64 84.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.265 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.79 -38.79 86.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.8 mmm -59.24 -36.02 74.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.502 175.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -40.08 62.06 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.773 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.0 ptp -75.73 -30.14 59.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.809 0.305 . . . . 0.0 111.671 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.462 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -74.81 -25.33 58.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.16 -176.759 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.85 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.59 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.37 -25.97 63.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.5 t -78.24 -33.92 49.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 43' ' ' MET . 54.6 t -64.22 -57.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.018 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 14.8 p30 -67.69 -27.56 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 33.1 t -62.52 -55.27 28.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.23 -29.44 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.307 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.8 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.9 tmm? -68.17 -33.39 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.57 -21.65 57.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.5 mmtt -80.26 -15.44 56.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.388 0.614 . . . . 0.0 109.583 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.498 ' SD ' ' HG3' ' A' ' 58' ' ' PRO . 35.6 ttm -70.73 -56.3 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.18 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.09 143.75 15.52 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.233 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.9 141.52 94.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.767 2.311 . . . . 0.0 112.122 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 55.29 67.19 3.26 Favored Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.577 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.498 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 42.4 Cg_endo -96.5 172.85 0.9 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.209 2.606 . . . . 0.0 113.632 -173.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.8 150.77 31.01 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.841 2.361 . . . . 0.0 111.252 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.446 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 13.4 pt20 -66.39 -20.44 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.18 -23.94 67.24 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.792 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 66' ' ' MET . 24.2 mmt180 -73.45 -40.86 63.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.218 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.09 -41.73 99.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.085 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.474 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 12.1 mpt_? -74.55 0.26 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.503 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -111.6 -18.84 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.716 176.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.2 mmm -87.15 -27.67 22.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.362 -175.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 10.8 p30 -51.53 -46.14 63.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.356 172.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 19.7 m -76.24 -35.91 58.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.573 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.51 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.347 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.5 ttp -87.36 -43.31 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.258 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.16 -47.37 62.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.097 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.9 81.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.734 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.9 mm-40 -72.59 -44.3 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.933 0.396 . . . . 0.0 110.511 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.487 ' O ' HG22 ' A' ' 77' ' ' VAL . 58.1 t -65.5 -31.72 55.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.68 64.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.523 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.95 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.348 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 74' ' ' VAL . 23.4 m -70.79 -31.71 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.348 . . . . 0.0 110.552 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.8 t -72.92 -39.83 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.156 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.4 -22.38 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.957 0.408 . . . . 0.0 111.405 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 m -91.34 3.27 55.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.418 0.628 . . . . 0.0 110.358 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -94.29 120.69 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.46 151.42 70.8 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.744 2.296 . . . . 0.0 112.529 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.69 86.44 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.114 2.543 . . . . 0.0 112.83 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -164.04 -38.18 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.055 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 89' ' ' VAL . 31.3 t -134.1 25.24 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.027 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -68.2 -49.4 61.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.307 -174.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -62.38 -29.17 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.84 78.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 0.0 110.223 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 85' ' ' SER . 73.6 t -60.05 -48.73 86.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.414 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.7 mt -62.62 -41.34 98.96 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.714 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -65.82 -34.47 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.531 0.205 . . . . 0.0 111.042 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.8 m -61.08 -52.83 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.364 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.4 mm -58.99 -46.79 91.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.588 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.49 -29.96 75.01 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.539 -176.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.98 -49.21 7.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.641 0.257 . . . . 0.0 111.006 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.3 m -58.95 -36.76 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.587 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.75 -38.04 86.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 110.159 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 63.4 mtt180 -66.35 -52.9 42.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 100' ' ' SER . 5.4 pt-20 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.888 0.375 . . . . 0.0 110.803 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.0 m -57.46 -36.09 70.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.53 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 83.0 mtp -67.77 -45.08 75.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ptm -79.95 -11.89 59.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.388 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -18.98 40.27 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 171.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.48 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -84.08 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.816 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 171.87 -19.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.624 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.91 6.06 84.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.646 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.2 m 57.62 -168.36 0.12 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.907 0.353 . . . . 0.0 110.851 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.24 92.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.61 152.71 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.643 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -87.72 -16.81 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.7 -51.37 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.458 -175.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.91 -38.59 91.6 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.0 p -70.21 -8.58 51.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.433 0.635 . . . . 0.0 110.952 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.85 -43.38 4.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.903 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.51 -53.81 53.04 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.706 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 120' ' ' VAL . 8.6 p -63.41 -36.87 77.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.412 ' SD ' ' HA2' ' A' ' 94' ' ' GLY . 71.9 mmm -65.33 -48.44 73.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.1 -43.04 66.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.282 0.563 . . . . 0.0 110.183 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.488 ' HA ' ' HE3' ' A' ' 122' ' ' MET . 8.7 mt -69.91 -47.21 63.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 116' ' ' VAL . 59.8 t -54.53 -56.53 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.722 0.296 . . . . 0.0 110.459 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -53.65 -43.05 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.365 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.488 ' HE3' ' HA ' ' A' ' 119' ' ' LEU . 7.7 tmm? -81.75 -29.78 32.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.335 -174.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.65 -6.56 59.13 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.33 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -92.18 -48.49 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.509 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -176.536 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.466 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.7 tt . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 121.058 0.456 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -72.59 -8.97 57.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.107 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.6 m -74.01 -14.36 61.01 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.999 0.428 . . . . 0.0 111.318 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -132.21 112.59 14.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.623 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 58.6 Cg_exo -51.41 -41.62 58.77 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.379 2.719 . . . . 0.0 112.983 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -83.74 18.01 2.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.782 0.801 . . . . 0.0 110.658 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.0 -47.59 1.78 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.697 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.233 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.664 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.4 mmt -70.69 -29.53 65.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.749 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.1 m -61.32 -49.71 75.87 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.714 0.292 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.466 ' SD ' HD13 ' A' ' 8' ' ' ILE . 24.0 ptt? -64.83 -37.3 87.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.627 HG21 HG21 ' A' ' 47' ' ' VAL . 56.3 m -65.69 -49.44 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.497 -176.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -66.94 -36.9 83.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.578 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 91.9 m-20 -70.02 -31.44 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 110.814 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.11 -40.9 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 109.878 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.19 -43.44 84.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.083 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.2 pp0? -69.35 -37.76 77.81 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.685 -177.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 96' ' ' CYS . 41.6 t -67.35 -46.06 74.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -67.36 -28.09 67.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.187 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 t -68.48 -30.6 69.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.018 0.437 . . . . 0.0 110.694 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -108.29 19.19 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -176.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.12 -40.83 71.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.92 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 9.15 82.77 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.18 -44.16 6.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.432 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 42.3 mt -78.35 178.07 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.227 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 36' ' ' GLN . 13.4 t -112.72 168.52 9.61 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.9 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.17 72.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.4 -33.71 65.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' H ' HG23 ' A' ' 33' ' ' THR . 89.2 mt-30 -70.73 -23.56 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 33' ' ' THR . 54.6 mtt -71.15 -24.39 62.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.55 -38.14 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 42' ' ' MET . 38.7 m-20 -58.01 -47.93 81.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.49 0.662 . . . . 0.0 109.423 173.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -56.04 -40.28 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.395 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.17 -41.11 54.61 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.5 ptp -69.01 -34.07 74.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.811 0.306 . . . . 0.0 111.439 -175.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -31.17 51.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.842 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.522 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . . . -75.17 -4.18 37.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -87.93 -43.66 11.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.282 0.563 . . . . 0.0 109.827 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -72.15 -32.36 66.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.003 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.627 HG21 HG21 ' A' ' 19' ' ' THR . 11.2 m -59.19 -49.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.664 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 9.7 p30 -69.91 -31.83 69.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.048 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -63.04 -41.63 99.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.076 0.465 . . . . 0.0 110.209 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 52.7 mt-30 -80.91 -37.55 29.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.283 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 9.8 tmm? -66.1 -39.52 90.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.71 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -70.73 -28.78 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.285 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HE2' ' HA ' ' A' ' 50' ' ' GLN . 64.6 pttt -88.19 -0.71 57.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.706 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.8 ttm -70.13 -38.06 75.45 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 104.31 153.74 22.91 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.499 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.36 26.29 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.772 2.314 . . . . 0.0 112.15 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -163.11 84.02 1.44 Allowed Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.805 -177.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.435 ' CB ' HD21 ' A' ' 63' ' ' LEU . 38.0 Cg_endo -66.15 124.12 12.16 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.922 2.415 . . . . 0.0 113.403 -171.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.77 47.79 2.64 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.936 2.424 . . . . 0.0 112.483 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 63.54 -74.21 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -57.32 -22.59 43.06 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.12 -19.93 59.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 112.1 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 58' ' ' PRO . 85.5 mt -77.25 -41.98 38.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -177.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 19.1 ptt-85 -70.36 -14.1 62.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.1 -51.89 5.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.7 mtp -70.84 -27.29 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 11.5 p30 -63.42 -38.43 91.11 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.763 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 m -76.2 -29.13 57.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.512 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.93 -53.5 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.061 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -68.27 -43.98 76.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.059 0.456 . . . . 0.0 110.351 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.65 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.678 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.02 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.53 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mm-40 -76.09 -36.28 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.005 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 24.3 m -78.37 -17.29 13.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.66 -46.59 88.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.685 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.96 -27.33 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.905 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 86' ' ' TYR . 39.4 t -71.93 -40.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.021 178.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.5 m -66.8 -20.1 65.88 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.803 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 35.5 m -83.78 135.03 43.36 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.067 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 84' ' ' GLN . 17.1 Cg_exo -67.79 153.1 76.62 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.695 2.263 . . . . 0.0 112.272 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.57 25.6 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.536 2.824 . . . . 0.0 113.136 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' A' ' 82' ' ' PRO . 77.9 mt-30 -121.21 -6.18 9.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.473 0.654 . . . . 0.0 109.497 175.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -138.36 15.35 2.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.125 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' CE2' HG12 ' A' ' 78' ' ' VAL . 56.8 t80 -75.44 -47.77 25.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.295 -169.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -65.41 -29.05 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.534 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.21 85.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 93' ' ' ILE . 73.9 t -67.59 -42.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.048 177.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD21 ' HD3' ' A' ' 121' ' ' LYS . 3.1 tt -57.96 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.417 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.95 -37.31 86.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.8 m -59.64 -55.52 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.804 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.0 mm -56.23 -41.25 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -46.99 77.42 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.808 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.03 91.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.629 0.252 . . . . 0.0 110.964 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 25' ' ' CYS . 75.4 m -76.77 -0.33 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.99 -177.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.18 -33.84 9.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -63.94 -64.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.379 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -63.73 -35.73 81.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.755 -177.173 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.6 m -63.33 -35.44 80.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.713 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.8 ttt -63.82 -50.04 70.49 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.716 0.293 . . . . 0.0 111.017 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.0 ptp -71.34 -23.76 61.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.835 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 7.5 tp60 -66.51 -26.01 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.227 0.536 . . . . 0.0 109.703 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.506 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.04 -63.19 1.45 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.787 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.0 t 169.84 -24.11 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.98 24.06 9.69 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.972 -171.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.8 p 47.91 -148.44 0.19 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.772 0.429 . . . . 0.0 110.708 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.87 101.13 11.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.33 144.77 35.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -81.96 -19.45 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.696 -172.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.68 -48.09 4.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.081 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 116' ' ' VAL . 76.3 t80 -60.27 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.59 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.3 p -60.75 -41.64 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.209 0.528 . . . . 0.0 110.583 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.43 -39.74 89.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.046 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.24 -47.81 80.88 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 123.201 0.6 . . . . 0.0 110.8 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.1 t -57.6 -48.21 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.619 ' O ' ' HD2' ' A' ' 121' ' ' LYS . 19.7 mmt -56.2 -52.88 62.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.1 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -54.78 -51.46 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.587 0.555 . . . . 0.0 111.024 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.422 ' HA ' ' HE3' ' A' ' 122' ' ' MET . 14.1 mt -61.02 -49.28 78.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.774 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 116' ' ' VAL . 67.9 t -59.56 -47.76 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.174 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.619 ' HD2' ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -62.96 -48.05 80.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.3 178.469 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.422 ' HE3' ' HA ' ' A' ' 119' ' ' LEU . 9.8 tmm? -65.86 -29.16 69.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.804 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.08 9.57 30.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.9 p -131.3 -61.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.188 179.797 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.973 -0.451 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 t -141.42 156.74 45.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.49 60.32 0.18 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.402 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -128.97 134.04 48.03 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.41 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 15.1 m -76.18 79.33 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.198 0.523 . . . . 0.0 110.944 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -108.99 98.4 29.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.319 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 5' ' ' SER . 4.0 Cg_endo -82.77 -83.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.676 2.251 . . . . 0.0 111.955 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.588 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.3 tt -128.92 -27.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.484 ' HB2' HD22 ' A' ' 63' ' ' LEU . 59.0 m95 -74.13 73.79 1.74 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -132.64 -7.4 3.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.742 0.782 . . . . 0.0 109.96 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -155.32 120.92 2.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.674 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.89 -47.09 22.51 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.27 2.646 . . . . 0.0 113.121 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.49 94.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.841 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.412 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -68.07 -50.84 52.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.06 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.486 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.484 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -67.91 -26.59 66.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.842 177.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 53.1 m -61.82 -53.19 59.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.516 0.198 . . . . 0.0 110.891 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.588 ' SD ' HD13 ' A' ' 8' ' ' ILE . 22.4 ptt? -61.72 -37.49 84.39 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.603 -178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -63.18 -43.15 99.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.618 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.39 -39.79 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.778 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 90.1 m-20 -61.69 -35.65 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.762 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.92 -49.57 76.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.2 -45.24 96.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.026 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.5 pp0? -66.69 -33.22 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.612 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -68.57 -49.06 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.333 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -71.53 -27.87 63.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.498 -176.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -68.65 -23.88 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.091 0.472 . . . . 0.0 110.765 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -108.2 19.66 19.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -79.4 -39.07 33.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.93 2.48 88.43 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -96.71 -43.45 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.421 -0.39 . . . . 0.0 111.044 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 26' ' ' ALA . 79.5 mt -74.97 164.66 26.32 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.379 0.609 . . . . 0.0 111.56 -175.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -90.13 171.97 9.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.225 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -31.26 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.94 -48.85 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.871 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 40' ' ' MET . 75.8 mt-30 -61.74 -40.16 94.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.194 -176.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.3 mtm -67.72 -25.14 65.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.716 0.294 . . . . 0.0 111.213 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.59 -32.87 17.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.175 0.512 . . . . 0.0 109.944 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 42' ' ' MET . 10.2 t70 -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.883 176.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 87.2 mtp -65.73 -25.8 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.827 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.38 -49.43 56.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.709 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.4 ptp -69.99 -24.75 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.32 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.49 ' SD ' HG22 ' A' ' 74' ' ' VAL . 39.4 ttp -67.24 -49.27 65.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.896 174.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.37 83.28 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.648 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -59.27 -41.49 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.467 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 47.7 t -63.72 -38.77 92.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.496 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 43' ' ' MET . 59.1 t -60.39 -52.59 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.828 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -68.08 -24.58 65.07 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.318 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -66.04 -50.74 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.908 0.385 . . . . 0.0 109.994 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 46' ' ' SER . 19.4 pt20 -77.95 -22.8 48.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.869 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -66.69 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -74.17 -17.6 60.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 0.0 110.564 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 9.2 mmpt? -93.43 4.27 54.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.134 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.642 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 50.0 ttm -73.4 -38.35 65.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.647 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.43 154.07 18.88 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.737 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.76 131.75 30.34 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.784 2.323 . . . . 0.0 111.497 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 58.54 80.15 0.29 Allowed Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 -170.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.642 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 72.7 Cg_exo -51.23 114.13 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.778 2.985 . . . . 0.0 113.903 -171.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.65 139.27 27.87 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.582 2.188 . . . . 0.0 111.464 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.419 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 14.0 pt20 -64.22 -21.81 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -69.18 -18.34 63.91 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.396 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -88.26 -34.94 17.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.259 0.552 . . . . 0.0 109.718 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 9' ' ' TRP . 41.6 mt -68.11 -35.37 78.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.17 -175.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 60' ' ' GLN . 3.4 mpt_? -69.86 -17.85 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.06 -34.06 11.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.7 tpp -63.15 -40.81 98.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.324 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -58.08 -35.8 71.92 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.658 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -76.64 -37.31 56.54 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.357 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.17 82.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.745 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 74' ' ' VAL . 32.2 ttm -59.7 -52.99 63.13 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 109.752 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.55 -42.39 67.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.996 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.19 79.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.16 -31.46 25.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.008 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 70' ' ' MET . 70.9 t -67.45 -35.5 73.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 110.038 172.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -31.55 67.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.464 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.3 -44.92 92.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.505 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.96 -43.41 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.331 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -73.58 -33.63 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.049 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 -13.85 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.069 0.462 . . . . 0.0 111.312 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.7 m -84.77 -4.63 59.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.437 0.636 . . . . 0.0 110.204 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -91.19 137.45 26.31 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.994 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.68 158.53 53.2 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.482 2.121 . . . . 0.0 110.634 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.52 -26.62 46.21 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.877 2.385 . . . . 0.0 112.862 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -67.02 -44.05 81.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.164 0.507 . . . . 0.0 110.844 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -97.86 -12.66 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.621 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -50.92 -50.34 57.79 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.801 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -61.48 -37.18 82.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.654 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.03 -34.64 64.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.125 0.488 . . . . 0.0 110.522 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.71 -47.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.001 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -59.83 -42.25 93.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.052 178.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.6 -42.77 88.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.978 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.38 -50.45 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.1 mm -59.14 -48.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.956 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.75 73.22 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 113.38 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.82 -54.75 4.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.609 0.242 . . . . 0.0 110.809 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.5 m -60.58 -36.24 78.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.873 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.42 -40.76 95.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 109.879 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -65.6 -49.65 67.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.236 0.541 . . . . 0.0 110.589 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -54.55 -55.78 25.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.563 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -57.23 -36.22 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.892 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.6 mmm -54.69 -51.95 63.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 111.299 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.6 ptm -78.4 -27.15 46.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.414 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -75.31 -3.75 35.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.462 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.53 -68.11 0.74 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.445 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.7 t 178.68 -29.61 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.717 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.15 17.95 58.3 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.681 -171.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.3 m 60.42 -177.11 0.1 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.262 0.531 . . . . 0.0 110.701 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.32 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.764 0.793 . . . . 0.0 110.914 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.93 139.16 30.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.616 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -67.38 -35.24 78.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.65 -173.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 115' ' ' GLU . . . -60.75 -48.06 83.51 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.21 -45.39 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.9 p -66.59 -23.98 66.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 0.0 110.547 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -72.15 -52.17 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.266 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 54.2 mt-10 -57.4 -50.98 71.26 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.677 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 120' ' ' VAL . 87.2 t -57.43 -53.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -49.7 75.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.303 0.241 . . . . 0.0 111.366 -177.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -58.32 -50.41 73.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.42 -43.35 77.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.84 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.1 -50.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 120.725 0.298 . . . . 0.0 110.75 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.404 ' HG2' HD21 ' A' ' 90' ' ' LEU . 57.5 mtpt -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.952 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 50.9 ttp -67.09 -37.76 84.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.334 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.7 2.3 45.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.914 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.5 t -115.27 -29.94 6.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.628 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.29 93.75 8.77 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.66 0.743 . . . . 0.0 110.777 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -143.23 102.39 3.97 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.951 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.5 m 69.44 5.25 5.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.548 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.6 72.17 10.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -140.21 -46.64 0.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.848 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -113.33 127.49 56.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.521 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.2 p -171.78 160.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 p -69.37 -14.83 63.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.906 -0.568 . . . . 0.0 110.575 177.453 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m 59.01 79.5 0.22 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.177 0.513 . . . . 0.0 111.137 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.58 -174.45 24.61 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.04 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -135.89 2.91 2.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.823 0.344 . . . . 0.0 111.174 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -113.96 150.86 33.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.535 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.449 ' HB3' HG21 ' A' ' 10' ' ' THR . 30.4 mm-40 71.7 94.16 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 O-C-N 124.049 0.843 . . . . 0.0 111.161 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -70.91 -172.41 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.764 2.309 . . . . 0.0 112.977 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.573 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.4 tt -73.99 -6.8 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.307 -177.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -85.05 11.72 9.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.333 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.449 HG21 ' HB3' ' A' ' 6' ' ' GLN . 6.7 p -82.77 -15.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -135.69 118.2 12.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 99.6 Cg_exo -44.88 -48.4 10.8 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 123.602 2.868 . . . . 0.0 113.291 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.21 -34.71 78.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -49.01 58.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -64.65 -44.97 88.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.116 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.478 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -62.45 -33.85 75.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.078 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -59.25 -48.54 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.638 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.573 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.83 -29.16 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.012 -177.72 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -67.52 -49.93 61.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.701 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -69.09 -35.69 76.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.41 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.8 m-20 -66.61 -25.92 66.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.9 -46.41 65.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.13 -47.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.082 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.1 pp0? -60.85 -30.02 69.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.78 0.324 . . . . 0.0 110.789 -178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.56 -49.27 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.343 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.02 71.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.603 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 t -72.25 -15.3 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -113.92 10.27 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -70.15 -50.96 35.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.404 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.52 3.72 77.59 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.189 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -98.4 -37.86 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.446 0.641 . . . . 0.0 109.842 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.83 160.26 20.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.493 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.7 p -79.11 166.3 22.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.9 -27.58 68.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.705 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -78.46 -51.29 10.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.642 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.2 -36.01 74.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.406 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.3 mtm -69.69 -27.81 65.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.098 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -82.1 -33.15 29.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 109.983 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.68 -33.94 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.196 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.525 ' SD ' HG21 ' A' ' 77' ' ' VAL . 88.0 mmm -54.19 -44.75 71.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.869 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.03 71.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.614 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.0 mtm -69.15 -38.8 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.226 -0.189 . . . . 0.0 111.204 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -78.33 -29.94 47.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.067 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.48 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.86 -41.13 95.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.966 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 t -70.87 -30.91 67.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.688 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 43' ' ' MET . 90.8 t -59.21 -51.2 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.445 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.478 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.8 p-10 -68.51 -34.19 75.44 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.507 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.1 m -60.74 -46.04 91.96 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 177.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 45.5 mt-30 -70.54 -34.94 72.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.798 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.766 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 6.6 tmm? -69.23 -39.9 78.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.602 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -71.6 -31.28 66.75 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.686 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 49' ' ' SER . 61.1 pttt -91.65 14.31 15.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.017 0.436 . . . . 0.0 111.001 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.9 ttm -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.49 143.79 5.82 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.133 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.11 125.79 13.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.683 2.256 . . . . 0.0 111.298 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 50.63 69.73 2.43 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.44 134.95 29.94 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.524 2.149 . . . . 0.0 113.405 -170.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.9 152.47 77.08 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 0.0 111.078 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.56 -21.61 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -76.77 -14.61 59.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.018 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -89.04 -31.44 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.72 -47.46 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.542 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -43.31 61.84 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.456 -174.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . -87.23 14.68 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -177.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 71.6 mmm -114.72 -43.11 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -44.58 96.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.002 0.429 . . . . 0.0 109.996 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.409 HG23 ' CD2' ' A' ' 119' ' ' LEU . 96.0 m -68.79 -31.82 71.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.819 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 65' ' ' ALA . . . -63.1 -52.49 62.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.585 -177.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 74' ' ' VAL . 59.7 ttp -62.64 -44.07 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 109.992 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.66 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.154 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.462 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.81 -27.07 40.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.134 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 70' ' ' MET . 99.6 t -69.67 -34.98 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -27.06 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.427 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.67 -45.68 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.467 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.525 HG21 ' SD ' ' A' ' 40' ' ' MET . 14.1 m -76.5 -28.79 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.634 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 74' ' ' VAL . 64.5 t -68.98 -27.29 34.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.323 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.0 -18.04 65.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -89.93 -2.28 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.383 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m -94.75 123.07 59.06 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.13 150.25 77.04 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.3 2.0 . . . . 0.0 111.749 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.65 -25.97 28.01 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.122 2.548 . . . . 0.0 113.199 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p -95.11 6.5 48.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.36 -42.81 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 51.3 m -75.58 4.72 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.745 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.31 -35.99 6.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 93' ' ' ILE . 99.7 t -71.86 -54.2 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.014 178.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.55 -37.99 79.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.558 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 87' ' ' SER . 6.2 t-20 -60.05 -46.02 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.284 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -61.95 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.937 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.2 mm -56.68 -54.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.77 95.89 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.454 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.51 75.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.797 0.332 . . . . 0.0 111.882 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.7 m -72.32 -40.08 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.299 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.0 -38.46 91.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.287 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -55.34 -52.4 63.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.729 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.611 ' HG3' ' N ' ' A' ' 100' ' ' SER . 2.3 pt-20 -71.2 -37.8 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.068 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.611 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 60.0 m -56.5 -33.8 66.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.374 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.5 mmm -60.19 -48.33 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 14.5 ptm -80.89 -26.33 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.358 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.88 -10.55 59.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 110.623 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -89.93 -61.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.336 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.468 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.7 t 174.07 -28.81 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.3 27.4 9.44 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.996 -169.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 81.4 p 48.37 -158.27 0.05 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.964 0.506 . . . . 0.0 111.353 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.4 t -111.62 104.26 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.171 0.51 . . . . 0.0 109.77 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.16 -175.24 5.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -137.44 21.23 2.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.136 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.67 -50.54 2.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.261 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -68.36 -51.38 44.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.601 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.7 p -55.02 -41.12 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.368 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -48.8 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.26 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 119' ' ' LEU . 26.5 tt0 -59.18 -47.75 84.14 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.5 -45.67 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.769 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.493 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 9.1 mmt -70.55 -9.5 56.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -98.22 -54.58 3.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 115' ' ' GLU . 10.0 mp -62.05 -42.28 99.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.977 -175.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.34 -26.94 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.267 0.556 . . . . 0.0 110.476 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -88.39 -50.1 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.258 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -69.6 -36.36 76.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.3 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.6 mt -82.09 -1.42 48.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.371 . . . . 0.0 110.695 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -112.75 -71.08 0.77 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . 173.73 112.99 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.678 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -108.58 64.1 0.61 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.791 0.805 . . . . 0.0 109.177 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.5 m -119.74 8.5 11.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.921 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.6 63.9 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.55 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -97.62 -28.72 13.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.565 0.697 . . . . 0.0 109.14 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -100.67 105.6 16.98 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.324 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 41.0 t -91.95 89.96 3.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.2 m -78.76 81.46 5.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.166 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.865 -0.588 . . . . 0.0 110.399 176.093 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t 70.76 -61.3 0.48 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.36 0.664 . . . . 0.0 111.223 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.8 39.56 3.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.353 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -96.76 153.65 17.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.444 ' O ' HD23 ' A' ' 63' ' ' LEU . 48.6 m -85.16 -21.6 29.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.188 0.518 . . . . 0.0 110.058 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -121.16 102.13 43.74 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.523 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.27 -11.65 19.2 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.637 2.225 . . . . 0.0 113.05 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.415 HG12 ' SD ' ' A' ' 18' ' ' MET . 4.5 tp -178.25 -30.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 0.0 110.334 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -75.2 67.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.82 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -104.91 -30.97 9.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.518 0.675 . . . . 0.0 110.276 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -138.18 125.14 13.32 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.854 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.2 Cg_exo -46.2 -45.63 17.95 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.236 2.624 . . . . 0.0 112.912 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.52 -36.97 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.37 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -67.92 -45.32 74.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.586 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -65.58 -40.2 92.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.216 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -21.5 63.97 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.414 177.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 94.9 m -60.99 -52.67 64.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.6 ptt? -65.18 -36.2 83.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.456 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -65.52 -44.84 85.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.622 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -67.91 -38.99 83.62 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.849 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.43 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.7 m-20 -62.77 -32.74 73.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.95 -44.55 89.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.209 0.528 . . . . 0.0 109.723 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.11 -47.49 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.954 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.9 pt20 -68.52 -24.85 64.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -75.09 -50.8 15.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.053 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.2 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 t -71.59 -12.82 61.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.068 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -124.25 19.63 8.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 p -74.44 -39.78 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.697 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.27 -16.45 59.75 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.25 -49.04 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.09 0.472 . . . . 0.0 110.472 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.44 153.2 40.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.312 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 37' ' ' MET . 4.5 t -90.14 164.84 14.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.54 64.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.64 -46.51 85.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.109 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 40' ' ' MET . 77.0 mt-30 -66.28 -36.22 82.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.659 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 33' ' ' THR . 55.6 mtt -64.42 -32.03 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.793 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.18 -42.11 56.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -34.61 74.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 92.7 mmm -61.94 -33.38 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.63 -44.25 82.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.258 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.2 -21.11 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.283 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.407 ' HG2' ' HB3' ' A' ' 73' ' ' GLU . 14.5 tmm? -59.91 -46.22 90.06 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.33 82.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.657 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.3 -41.97 98.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.587 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.5 t -59.89 -50.15 74.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.019 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.45 -43.96 91.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.8 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -48.83 -53.03 20.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 t -62.06 -41.29 97.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.278 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 46' ' ' SER . 48.5 mt-30 -74.94 -33.29 61.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 0.0 110.95 -177.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.42 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 50.8 ttp -67.14 -26.5 66.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.76 -19.59 62.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.089 0.471 . . . . 0.0 110.607 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 10.3 mmpt? -90.45 -6.22 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.208 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.447 ' HB2' ' HE3' ' A' ' 54' ' ' MET . 41.5 ttm -66.13 -67.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.652 -178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.77 151.22 13.54 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.185 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.36 145.9 67.03 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.938 2.425 . . . . 0.0 112.816 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 p30 37.99 69.77 1.39 Allowed Pre-proline 0 N--CA 1.47 0.559 0 O-C-N 124.392 1.057 . . . . 0.0 112.996 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 62' ' ' ARG . 47.3 Cg_endo -95.13 148.94 1.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.256 2.637 . . . . 0.0 113.02 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HD2' ' HG3' ' A' ' 62' ' ' ARG . 17.1 Cg_exo -63.26 160.7 33.68 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.82 2.347 . . . . 0.0 112.264 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -39.55 42.96 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -70.82 -19.41 62.67 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.495 ' HG3' ' HD2' ' A' ' 59' ' ' PRO . 25.6 mmm180 -73.37 -37.04 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 110.224 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 5' ' ' SER . 2.1 mm? -78.87 -25.9 43.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.469 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.51 10.38 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.278 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.49 -1.58 14.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.175 0.512 . . . . 0.0 110.199 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.2 mmm -106.67 -23.03 12.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.814 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -52.1 -57.0 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.9 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.3 m -64.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -50.73 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.388 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.9 ttp -73.3 -43.54 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.151 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 120' ' ' VAL . . . -51.12 -48.35 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.118 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.407 ' HB3' ' HG2' ' A' ' 43' ' ' MET . 5.5 mm-40 -76.97 -38.39 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.888 0.375 . . . . 0.0 110.573 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.03 -22.88 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.53 0.681 . . . . 0.0 109.885 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.0 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.463 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.13 -43.98 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.956 -175.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.0 m -71.65 -25.29 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 111.07 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.19 -28.57 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -23.25 66.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.063 0.458 . . . . 0.0 111.067 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -93.12 9.94 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.239 0.542 . . . . 0.0 110.893 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 m -94.41 125.26 52.68 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.72 147.7 69.94 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.696 2.264 . . . . 0.0 111.684 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.28 -42.28 27.46 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 123.418 2.745 . . . . 0.0 113.89 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -73.97 -36.89 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.846 0.355 . . . . 0.0 111.189 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.6 m -79.04 -18.2 53.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.556 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.35 -44.63 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.579 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.2 m -53.61 -39.12 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.76 -31.01 59.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 110.363 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.38 -11.49 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.922 0.868 . . . . 0.0 110.251 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -93.75 -57.29 2.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.421 174.463 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.86 -47.97 70.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.338 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -60.36 -51.12 70.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.671 0.272 . . . . 0.0 111.53 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.8 mm -58.76 -44.09 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.69 -43.34 94.48 Favored Glycine 0 C--N 1.329 0.143 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.683 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.2 75.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.61 -43.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.967 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 97' ' ' LEU . 1.1 tm? -64.04 -42.47 97.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.887 0.375 . . . . 0.0 110.206 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -40.93 84.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 177.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -72.07 -58.72 3.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.5 p -51.74 -38.95 57.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.989 -173.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.7 ttt -60.91 -51.07 70.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.47 -177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.8 ptm -79.07 -24.74 43.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.05 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.74 -11.91 61.22 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.112 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.69 -70.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.316 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.4 t 176.19 -36.71 0.01 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.692 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 30.32 3.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.211 -0.518 . . . . 0.0 113.338 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 101' ' ' MET . 71.4 p 50.92 -166.7 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.196 0.599 . . . . 0.0 110.945 -176.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.62 107.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.495 0.664 . . . . 0.0 110.174 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.7 148.08 45.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.763 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -78.81 -25.21 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.799 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.87 -45.1 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.168 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -56.51 -43.41 79.71 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.328 0.393 . . . . 0.0 111.641 -176.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.402 HG22 HD12 ' A' ' 97' ' ' LEU . 6.0 p -55.76 -55.95 26.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.352 0.596 . . . . 0.0 110.396 176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.66 -41.35 85.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.638 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -56.45 -59.2 5.32 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.914 0.886 . . . . 0.0 111.399 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 120' ' ' VAL . 12.1 p -68.36 -39.48 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 55.0 mmm -58.14 -52.26 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -63.25 -38.86 92.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 110.362 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.92 -43.31 98.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.752 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 116' ' ' VAL . 72.9 t -53.8 -44.91 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-O 121.085 0.469 . . . . 0.0 110.908 176.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 17.2 mmmt -73.6 -46.33 47.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.601 . . . . 0.0 110.677 -175.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.47 -27.83 69.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.737 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.8 mt -93.99 10.79 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.48 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.7 p -125.02 -60.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -154.58 107.41 2.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.476 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -106.99 72.52 0.89 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.362 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.2 m -153.17 -32.09 0.13 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.872 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.7 94.36 6.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.905 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -95.62 140.48 30.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.47 100.76 0.15 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 111.776 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.31 99.49 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-O 121.823 0.82 . . . . 0.0 110.486 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.6 m -110.16 84.52 1.94 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.272 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.244 176.918 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.195 -0.362 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -104.19 136.85 43.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.76 -2.42 11.51 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.678 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -109.25 164.93 12.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 p -74.47 73.85 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 111.58 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -137.69 98.5 9.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.975 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.41 -164.08 0.22 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.867 2.378 . . . . 0.0 112.136 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.419 HG12 ' HG2' ' A' ' 18' ' ' MET . 7.7 tp -58.17 -19.55 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.357 -176.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.445 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 64.5 m95 -83.89 33.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.307 -0.245 . . . . 0.0 110.646 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -61.46 -47.66 84.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.85 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.85 160.68 43.03 Favored Pre-proline 0 N--CA 1.442 -0.851 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 72.0 Cg_exo -47.67 -48.73 15.03 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.391 2.728 . . . . 0.0 113.728 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -62.07 -42.3 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.081 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.76 84.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 0.0 111.134 -174.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -74.49 -45.13 48.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.264 -177.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.591 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -65.25 -32.33 73.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -177.569 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 104' ' ' ALA . 53.2 m -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.432 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 0.0 OUTLIER -69.26 -33.67 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.17 -177.624 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.4 m -65.61 -45.99 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 0.0 110.758 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -72.44 -33.57 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.65 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.476 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.3 m-20 -64.95 -33.13 75.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.052 0.453 . . . . 0.0 110.424 176.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.2 tp -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.47 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.04 -49.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.876 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.476 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 11.6 pt20 -67.98 -31.29 70.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.925 0.393 . . . . 0.0 110.964 -175.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.38 -42.82 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.76 -29.51 51.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.588 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -67.95 -20.36 65.05 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.297 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -123.97 28.73 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 110.612 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -74.39 -38.13 63.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.007 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.61 8.41 67.82 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.7 t -111.59 -49.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.932 0.396 . . . . 0.0 110.448 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.51 145.24 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.2 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -79.35 172.08 14.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.71 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.506 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.8 -50.66 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.241 0.543 . . . . 0.0 109.766 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -60.59 -37.75 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.513 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.2 ptp -74.48 -17.76 60.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.411 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -79.55 -33.6 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.261 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -60.72 -32.1 71.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.161 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.532 ' SD ' HG21 ' A' ' 77' ' ' VAL . 90.1 mmm -56.0 -45.11 79.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.658 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.69 57.18 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.707 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.6 ptp -67.04 -32.24 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.57 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -74.84 -33.46 62.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.043 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -59.68 -41.54 90.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.44 -44.78 95.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 110.336 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -59.52 -39.64 84.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.223 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 43' ' ' MET . 96.3 t -60.51 -53.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.757 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.498 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -68.96 -28.05 66.29 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.141 -0.623 . . . . 0.0 111.404 -177.243 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -61.36 -38.33 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 0.0 109.762 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 41.7 mt-30 -82.52 -23.79 34.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.886 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.723 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.0 tmm? -80.94 -30.26 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 111.242 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 49.6 mt-30 -74.84 -20.54 59.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.358 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -88.75 -9.02 53.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.17 174.661 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.419 ' HB3' ' O ' ' A' ' 51' ' ' MET . 33.2 ttm -72.07 -49.85 33.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.267 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.06 132.3 7.6 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.308 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.09 133.71 59.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.611 2.207 . . . . 0.0 111.671 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 60.13 69.15 1.25 Allowed Pre-proline 0 C--O 1.234 0.259 0 O-C-N 124.009 0.818 . . . . 0.0 109.355 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -84.44 156.45 12.46 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.826 2.35 . . . . 0.0 113.873 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.55 145.79 59.49 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.738 2.292 . . . . 0.0 111.553 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' CD ' ' H ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -44.97 -44.98 10.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.779 0.831 . . . . 0.0 113.089 -171.676 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -65.32 -19.0 65.76 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -79.14 -26.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.182 -0.324 . . . . 0.0 111.418 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 60' ' ' GLN . 2.9 mm? -70.77 -36.72 73.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.861 0.362 . . . . 0.0 110.764 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -61.59 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.455 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.95 -23.09 63.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.343 -172.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 63.3 mmm -85.12 -32.34 22.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.792 0.33 . . . . 0.0 111.283 -174.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -35.83 80.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.101 0.477 . . . . 0.0 109.85 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.558 HG23 ' CD2' ' A' ' 119' ' ' LEU . 77.3 m -74.51 -35.5 63.19 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.534 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.59 85.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -65.44 -43.46 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 110.135 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.04 69.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.597 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.47 67.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.582 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.73 -26.7 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.028 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 77' ' ' VAL . 57.5 t -72.86 -27.43 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.238 0.542 . . . . 0.0 110.069 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.99 67.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.394 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.19 -30.53 71.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.932 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -82.24 -22.1 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.5 -178.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.0 -32.01 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.8 -18.67 65.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.317 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -89.11 9.1 26.68 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.213 0.53 . . . . 0.0 111.172 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m -98.09 131.65 26.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.89 134.75 30.67 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.218 1.945 . . . . 0.0 111.449 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -42.69 -42.64 8.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.856 3.038 . . . . 0.0 114.353 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -62.48 -23.43 66.91 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -119.59 3.01 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -59.02 -44.2 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -56.29 -37.43 69.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.384 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.47 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.76 -42.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.621 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.23 -39.66 93.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.054 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -56.91 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.874 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -62.75 -53.33 55.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.772 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 mm -57.13 -48.55 81.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.246 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.43 -41.57 99.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.663 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -65.82 -52.14 53.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.41 -37.28 77.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.87 -41.31 83.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 111.31 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.9 ttm180 -64.04 -44.94 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.594 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 33.9 mm-40 -65.62 -56.15 13.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.424 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.51 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 34.9 p -53.9 -32.58 53.91 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.275 -174.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.28 -51.37 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.348 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.67 -18.25 31.76 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.775 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.51 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -67.11 -26.36 66.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.339 172.712 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.53 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -72.9 -70.53 0.35 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.726 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.5 t 167.4 -19.68 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 -176.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.72 7.61 81.51 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.055 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.4 m 62.65 173.61 0.14 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.282 0.563 . . . . 0.0 111.066 -175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -99.16 104.89 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 122.101 0.953 . . . . 0.0 109.667 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.07 168.58 15.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.626 -1.624 . . . . 0.0 112.093 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.21 -18.77 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.204 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.33 -52.31 3.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.329 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.27 -53.9 53.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.054 0.454 . . . . 0.0 110.769 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -17.86 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.067 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -89.52 -47.14 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.727 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.16 -53.7 41.04 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.67 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 120' ' ' VAL . 74.9 t -54.96 -46.26 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.425 ' O ' ' HD3' ' A' ' 121' ' ' LYS . 0.2 OUTLIER -59.13 -44.8 92.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.873 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.9 -48.06 82.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.444 . . . . 0.0 110.458 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.558 ' CD2' HG23 ' A' ' 68' ' ' THR . 8.5 mp -65.37 -42.91 92.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.84 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.0 t -53.51 -43.5 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.968 0.414 . . . . 0.0 110.5 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 117' ' ' MET . 35.4 mtpt -65.36 -50.82 64.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.684 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -76.79 -24.83 52.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.289 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.5 mt -89.44 2.2 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.238 -0.289 . . . . 0.0 111.118 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.0 p -117.78 -67.27 1.0 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -156.93 110.1 2.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.137 -176.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -93.28 6.11 49.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.109 0.957 . . . . 0.0 109.517 177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -87.96 29.28 0.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.383 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.21 11.3 10.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.362 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -63.69 135.87 57.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.135 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.5 mp0 -45.23 108.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.825 0.703 . . . . 0.0 111.64 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 133' ' ' THR . 7.3 p -92.72 113.79 28.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.513 0.673 . . . . 0.0 110.252 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.2 m -81.41 76.75 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.203 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 131' ' ' VAL . 11.2 t . . . . . 0 C--O 1.244 0.79 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.765 175.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -76.3 115.21 15.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.836 0.35 . . . . 0.0 110.604 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.14 124.72 26.03 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.025 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 t30 72.79 -69.14 0.2 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.355 0.662 . . . . 0.0 112.159 174.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -80.65 127.17 32.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.0 0.429 . . . . 0.0 111.545 -174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 67.71 85.23 0.15 Allowed Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.99 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -91.58 -159.53 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.646 2.897 . . . . 0.0 112.053 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 tt -77.89 -6.53 9.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.897 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -78.49 16.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.128 -0.358 . . . . 0.0 111.471 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.54 -22.88 40.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -132.65 114.67 14.39 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.146 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.773 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 87.9 Cg_exo -47.2 -45.15 22.58 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.5 2.8 . . . . 0.0 113.584 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.54 -40.73 96.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.491 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.61 74.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.694 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.36 82.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.544 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.714 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -62.09 -28.51 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 104' ' ' ALA . 99.1 m -60.62 -50.28 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 178.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -29.47 63.49 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.389 -176.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -66.61 -44.35 82.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 110.598 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -69.47 -42.47 74.82 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.33 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.1 m-20 -61.42 -33.7 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.834 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.75 -47.63 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 0.0 110.209 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.61 -44.96 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.998 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.7 pt20 -66.67 -34.84 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 110.382 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.95 -41.25 82.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 109.974 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -70.63 -26.84 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.467 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.9 m -76.24 -30.09 57.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.148 0.499 . . . . 0.0 110.892 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -98.8 15.86 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.002 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -73.31 -50.35 22.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.29 -3.09 79.39 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -99.9 -38.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.405 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 ' HB1' ' A' ' 26' ' ' ALA . 9.8 mp -76.52 163.17 27.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.044 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' HG3' ' A' ' 37' ' ' MET . 80.3 p -93.98 166.62 12.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.655 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.85 73.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.01 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.78 -48.07 70.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -64.2 -37.18 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.671 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 33' ' ' THR . 30.2 mtt -69.25 -38.5 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.841 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.741 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.961 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 37' ' ' MET . 74.6 mmm -58.81 -41.55 87.03 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.263 0.554 . . . . 0.0 110.177 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.76 -42.38 95.24 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.875 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.24 -31.85 72.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.984 0.421 . . . . 0.0 110.513 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.504 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.4 tmm? -60.48 -56.59 19.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.973 174.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.63 76.15 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.58 -48.51 63.15 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.84 0.713 . . . . 0.0 111.167 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 34.6 t -72.99 -33.82 66.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 43' ' ' MET . 87.0 t -56.73 -51.13 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.735 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.714 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 2.1 p-10 -66.04 -32.19 73.51 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.267 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -60.9 -54.18 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 46' ' ' SER . 13.0 pt20 -73.63 -32.93 64.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.773 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 15.3 tmm? -72.47 -39.97 67.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -72.29 -36.72 69.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.529 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -81.78 11.15 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.749 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 19.1 ttp -76.69 -21.31 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 109.908 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.93 151.24 21.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.476 171.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.61 131.36 22.72 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.786 2.324 . . . . 0.0 111.034 174.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 59.39 75.53 0.5 Allowed Pre-proline 0 N--CA 1.464 0.24 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.87 139.17 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.786 2.324 . . . . 0.0 113.127 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -66.71 137.84 47.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.253 1.969 . . . . 0.0 110.384 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -59.01 -31.42 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -169.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -62.31 -29.81 70.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.148 0.431 . . . . 0.0 111.089 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.749 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 17.0 mmt180 -69.48 -31.74 70.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.197 0.522 . . . . 0.0 110.398 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.9 -1.11 13.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.045 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -96.53 -53.73 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.839 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.31 -28.18 66.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.249 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 94.6 mmm -61.56 -33.06 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.09 -49.27 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 m -61.63 -41.29 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.595 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.58 -52.21 65.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.474 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 74' ' ' VAL . 58.0 ttp -67.4 -44.24 79.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.157 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.25 86.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.645 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.72 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.577 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 9.2 mm-40 -80.33 -38.06 31.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 70' ' ' MET . 48.6 t -66.44 -26.93 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.333 0.587 . . . . 0.0 109.906 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -24.77 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.535 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.15 -48.5 78.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 74' ' ' VAL . 26.6 m -70.27 -26.57 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.388 . . . . 0.0 111.24 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.34 -30.77 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.912 0.387 . . . . 0.0 110.71 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -15.66 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.614 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -85.87 5.17 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.799 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -99.76 130.03 27.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.513 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.58 162.5 41.16 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.425 2.083 . . . . 0.0 111.404 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.6 12.09 0.26 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.163 2.576 . . . . 0.0 113.704 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -105.05 -61.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.061 0.457 . . . . 0.0 110.351 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 p -84.21 0.99 46.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.506 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.63 -42.3 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 15.1 m -69.51 -6.87 33.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.071 -178.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.89 -33.58 8.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 93' ' ' ILE . 61.5 t -75.56 -55.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.155 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.98 -39.39 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.841 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' ' 87' ' ' SER . 7.0 t-20 -52.99 -48.28 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.321 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 m -62.8 -45.26 93.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.83 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -56.51 -50.88 71.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.75 -44.52 97.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.46 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.43 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.18 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.107 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.05 -45.25 95.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 99.2 mtt180 -58.96 -50.5 73.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.85 -55.06 39.21 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.794 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.6 m -49.98 -40.61 44.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.064 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 56.5 mmm -60.12 -51.89 67.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.759 0.314 . . . . 0.0 111.731 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.3 ptm -77.56 -24.63 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.365 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -76.91 -19.29 57.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.581 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -75.05 -63.81 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 8.9 t 168.97 -24.72 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.726 0.641 . . . . 0.0 111.139 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.56 20.64 13.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.924 -172.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.5 p 51.85 -165.91 0.05 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.247 0.619 . . . . 0.0 111.237 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.27 97.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.07 161.72 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.292 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -91.02 -28.82 17.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.79 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.152 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -58.53 -55.77 30.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 110.581 -177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -18.05 60.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.736 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.25 -48.88 5.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.41 -43.1 91.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 122.867 0.467 . . . . 0.0 111.368 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 120' ' ' VAL . 74.5 t -59.29 -44.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.681 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -45.86 90.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.558 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 118' ' ' GLN . 6.5 tp60 -61.78 -45.42 93.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.88 -48.81 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.424 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 116' ' ' VAL . 69.7 t -56.16 -39.75 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.163 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -75.2 -48.64 22.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.918 0.39 . . . . 0.0 111.211 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -69.31 -34.9 75.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.629 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.38 -4.04 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.947 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.4 t -103.43 -65.34 1.01 Allowed 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 121.203 0.525 . . . . 0.0 109.715 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -169.26 105.77 0.39 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.386 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -93.55 -7.93 42.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.069 0.938 . . . . 0.0 109.599 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.1 m -93.61 -9.99 36.16 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.204 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.95 76.64 8.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.408 0.623 . . . . 0.0 110.195 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -94.17 141.78 28.16 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.424 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -47.85 108.64 0.17 Allowed 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.715 0.634 . . . . 0.0 110.236 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.0 p -76.7 127.96 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 121.766 0.793 . . . . 0.0 111.127 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.1 p -107.17 77.21 1.14 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.163 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.201 177.147 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.88 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -146.44 126.89 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.737 0.303 . . . . 0.0 110.195 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.69 150.9 5.86 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.002 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -114.39 35.82 4.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.105 0.479 . . . . 0.0 109.985 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t 69.01 12.82 8.71 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.623 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.644 ' HB3' ' OG1' ' A' ' 10' ' ' THR . 65.3 mm-40 -123.08 101.39 38.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.792 0.33 . . . . 0.0 111.578 -176.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.485 ' HD2' HD12 ' A' ' 63' ' ' LEU . 98.8 Cg_endo -93.63 87.07 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.53 2.82 . . . . 0.0 114.048 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 7' ' ' PRO . 18.3 tt 62.42 -32.48 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 126.254 1.822 . . . . 0.0 115.727 167.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.11 15.58 1.48 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.644 ' OG1' ' HB3' ' A' ' 6' ' ' GLN . 6.3 m -71.34 -32.48 68.6 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.287 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -139.41 140.64 26.27 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.065 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.618 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.3 Cg_endo -53.58 -46.94 30.06 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.719 2.946 . . . . 0.0 113.798 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -62.93 -37.22 86.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.019 -175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.64 55.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.161 0.505 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -45.44 68.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.949 -176.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.529 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -61.54 -34.44 75.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.3 m -58.92 -54.15 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -28.72 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.145 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.7 m -69.18 -46.75 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.73 -32.38 65.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.651 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.512 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.3 m-20 -66.24 -31.62 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 110.338 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD22 HD23 ' A' ' 97' ' ' LEU . 45.4 tp -63.06 -45.91 89.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.651 176.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.5 -48.08 90.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 12.0 pt20 -65.93 -31.56 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.722 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 t -75.53 -46.95 29.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.43 46.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 0.0 112.025 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -71.46 -17.9 62.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.391 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -112.94 23.1 13.76 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.564 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -80.72 -34.17 34.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.681 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.23 75.84 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -97.35 -41.48 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 111.207 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -72.25 164.67 25.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.341 0.591 . . . . 0.0 111.43 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 37' ' ' MET . 18.4 p -90.21 168.88 11.59 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.212 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -30.93 69.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.612 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -56.03 6.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.211 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 40' ' ' MET . 93.2 mt-30 -55.65 -43.33 76.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.663 -177.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 33' ' ' THR . 74.8 mtm -62.43 -41.87 99.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.459 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.56 -35.72 39.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.853 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.1 m-20 -67.43 -25.4 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 69.5 mmm -62.47 -33.76 75.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.109 0.48 . . . . 0.0 110.283 172.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.36 84.93 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.132 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.9 ptp -70.6 -21.95 62.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.894 0.378 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.3 tmm? -65.18 -52.23 56.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.83 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.218 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.93 -42.93 90.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.39 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 31.4 t -66.87 -39.99 87.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.752 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 43' ' ' MET . 63.9 t -57.2 -51.5 68.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.685 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.529 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 2.1 p-10 -70.51 -26.61 63.66 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.085 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.8 t -60.26 -50.49 73.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' SER . 55.7 mt-30 -71.02 -47.27 59.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.959 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.3 tmm? -60.6 -42.59 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.496 -176.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -73.16 -17.18 61.4 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.362 -177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' SER . 65.1 mttm -89.28 -21.09 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.843 0.354 . . . . 0.0 110.155 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 40.1 ttp -65.6 -45.83 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.703 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 114.87 168.3 15.75 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.129 174.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.9 134.73 8.48 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.132 2.555 . . . . 0.0 112.503 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.469 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 47.2 m-80 53.55 63.39 8.12 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.498 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HG3' ' O ' ' A' ' 55' ' ' GLY . 1.9 Cg_endo -86.44 170.77 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.124 2.549 . . . . 0.0 112.072 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.492 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 Cg_exo -62.83 139.76 76.24 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.569 2.179 . . . . 0.0 112.166 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.16 -37.04 76.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -66.74 -20.33 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.587 0.232 . . . . 0.0 111.183 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -83.81 -38.78 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 109.843 175.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 59' ' ' PRO . 16.1 mt -67.83 -39.18 83.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.702 0.763 . . . . 0.0 109.802 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -78.44 3.91 14.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.243 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.67 -9.39 12.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.544 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mmm -74.16 -23.33 59.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 109.868 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -60.07 -29.21 68.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.404 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.481 ' HA ' HD13 ' A' ' 119' ' ' LEU . 25.9 m -75.75 -40.89 54.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.31 76.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.435 ' O ' HG23 ' A' ' 74' ' ' VAL . 27.2 ptm -69.31 -43.0 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.752 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.734 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.47 98.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 111.0 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.94 -35.27 79.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 70' ' ' MET . 63.5 t -74.25 -38.15 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.05 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -53.65 -57.02 12.28 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.308 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -31.19 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.932 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.0 t -70.73 -37.65 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.45 -7.54 38.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.459 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.6 m -94.52 6.98 47.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.514 0.673 . . . . 0.0 110.278 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -96.67 126.47 43.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -57.52 150.41 60.46 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.501 2.134 . . . . 0.0 111.42 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -43.6 -49.56 7.73 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.554 2.836 . . . . 0.0 114.064 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -67.12 -41.85 85.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.39 . . . . 0.0 111.468 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.83 -21.94 46.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' CE2' HG12 ' A' ' 78' ' ' VAL . 38.9 t80 -54.92 -45.45 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.355 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -57.54 -40.65 79.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.11 76.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.317 0.579 . . . . 0.0 110.448 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.1 t -69.24 -50.08 55.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.481 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -44.47 96.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.024 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.17 -41.25 87.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.75 0.31 . . . . 0.0 110.648 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -62.05 -49.74 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.653 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 89' ' ' VAL . 50.8 mm -56.75 -49.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -63.32 -42.14 99.29 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.187 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 79.8 m -66.66 -41.45 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.687 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.513 HD23 HD22 ' A' ' 22' ' ' LEU . 1.6 tm? -56.73 -39.52 74.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -178.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 83.1 mtt-85 -60.64 -58.63 7.64 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 111.164 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -65.07 -38.78 91.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.368 -176.318 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.5 m -57.66 -43.11 84.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 37.2 mmm -60.58 -43.31 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.54 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.479 ' HA ' ' HA ' ' A' ' 107' ' ' SER . 3.0 ppp? -82.94 -24.48 33.0 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.48 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -78.31 -3.58 43.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.12 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.47 -83.64 0.1 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 105' ' ' THR . 6.0 t 166.47 93.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 122.592 1.187 . . . . 0.0 108.831 -173.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 142.77 -11.84 2.4 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 102' ' ' MET . 25.3 p 75.37 165.61 0.27 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.852 -1.174 . . . . 0.0 111.022 174.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -76.69 93.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.936 0.874 . . . . 0.0 111.22 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.18 148.46 44.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.165 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -89.04 -17.66 28.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.879 -173.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.34 -49.86 5.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 0.0 110.932 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.73 -47.82 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.14 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.2 p -59.93 -48.61 81.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -57.0 -45.71 82.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.246 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -62.77 -53.12 59.25 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.715 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 120' ' ' VAL . 4.7 p -65.5 -36.04 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.526 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 3.1 mmt -60.08 -52.56 64.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.39 174.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -55.03 -47.74 74.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.669 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 68' ' ' THR . 13.1 mt -66.65 -47.23 73.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.232 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.8 t -56.16 -44.65 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.119 0.485 . . . . 0.0 110.688 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.29 -45.68 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.668 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -85.64 -0.65 55.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 p -113.47 -52.56 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.461 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -168.66 132.38 1.48 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.732 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -70.35 -7.09 40.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.574 0.702 . . . . 0.0 110.758 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.6 m -70.61 -5.43 29.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.309 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.89 34.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.999 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -61.6 -26.44 67.98 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.55 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.81 133.88 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.117 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 5.5 p -127.14 84.2 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.434 1.111 . . . . 0.0 110.025 176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.5 t -126.56 24.03 6.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.809 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 36.3 p . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.983 -175.51 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 p -83.22 146.5 28.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.8 0.333 . . . . 0.0 110.274 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.77 -134.42 11.3 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -173.19 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.762 0.281 . . . . 0.0 110.627 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -134.18 12.79 3.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.447 0.641 . . . . 0.0 109.993 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -127.52 103.33 22.34 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.913 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -78.97 -170.14 0.94 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.952 2.435 . . . . 0.0 113.417 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.9 tp -64.74 -25.2 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.348 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.61 18.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 p -89.4 -4.6 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 0.0 110.469 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 24.4 t-20 -143.69 115.19 5.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.898 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.19 -53.4 7.19 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.274 2.65 . . . . 0.0 113.378 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.76 -38.7 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.653 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 11' ' ' ASN . . . -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.677 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.38 86.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.178 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.565 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -63.91 -30.75 71.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.318 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -59.05 -52.46 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.31 69.81 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.26 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -64.03 -45.95 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.445 . . . . 0.0 110.418 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -68.19 -34.99 77.31 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.538 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 74.7 m-20 -62.92 -36.03 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.709 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.42 -50.39 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.845 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 1.5 pp0? -67.16 -37.99 84.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.883 -176.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -66.2 -43.6 86.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.271 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.362 . . . . 0.0 110.943 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -76.15 -27.41 57.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.086 0.469 . . . . 0.0 110.356 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 4.8 mmp_? -102.41 11.48 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -70.51 -62.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.899 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.71 34.19 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.04 -30.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.651 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 56.1 mt -84.53 178.51 7.69 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.717 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 37' ' ' MET . 8.9 t -112.73 163.8 14.14 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 0.0 110.498 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.5 -46.07 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.739 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' H ' HG23 ' A' ' 33' ' ' THR . 93.9 mt-30 -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.011 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.4 mtt -68.92 -26.28 65.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.99 -39.78 69.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.143 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 42' ' ' MET . 27.9 m-20 -65.11 -28.57 69.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.04 -30.95 69.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.606 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 -49.36 55.85 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.677 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.5 ptp -67.81 -27.09 66.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.9 0.381 . . . . 0.0 110.547 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.503 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.9 tmm? -64.17 -52.28 59.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.21 78.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.017 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -54.02 -47.8 71.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.92 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -69.62 -32.17 70.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.146 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 43' ' ' MET . 84.5 t -62.91 -49.97 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.798 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.565 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.7 p-10 -64.57 -38.56 91.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.5 t -57.54 -43.51 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 110.473 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.44 -26.06 60.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.204 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -77.53 -38.35 48.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 65.8 mt-30 -65.63 -36.17 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.726 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.54 19.77 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.142 0.496 . . . . 0.0 110.896 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.528 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 53.5 ttm -78.62 -38.5 39.68 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.49 148.71 17.48 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.036 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.18 130.78 23.48 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.771 2.314 . . . . 0.0 111.5 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 53.01 68.53 2.93 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-O 121.441 0.638 . . . . 0.0 109.282 -172.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.528 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 73.9 Cg_endo -71.5 149.87 56.71 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.257 2.638 . . . . 0.0 114.243 -166.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 11.0 Cg_exo -70.83 152.71 63.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.02 2.48 . . . . 0.0 112.32 175.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -48.45 -56.49 8.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.685 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -59.81 -23.4 63.29 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' MET . 14.8 mmm180 -71.87 -31.98 67.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.086 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.502 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.0 mp -83.73 -38.28 21.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.405 0.622 . . . . 0.0 109.981 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -68.52 -17.5 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.39 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.73 -10.85 28.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 88.9 mmm -80.43 -24.83 39.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 111.265 -174.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -67.55 -24.76 65.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.416 ' HA ' HD13 ' A' ' 119' ' ' LEU . 24.6 m -89.3 -37.49 14.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.156 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.37 57.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.476 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.67 -43.32 80.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.14 0.495 . . . . 0.0 110.626 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.9 80.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.64 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.23 -24.96 20.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.786 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 p -76.48 -20.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 124' ' ' SER . . . -64.17 -20.58 66.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.477 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.621 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.16 -30.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.1 t -74.71 -41.35 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.78 -20.28 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.348 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -100.06 9.79 42.3 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.47 0.653 . . . . 0.0 110.514 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.0 m -91.54 134.18 29.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.324 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.69 131.58 46.65 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.601 2.201 . . . . 0.0 111.617 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.03 -36.32 11.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.733 2.955 . . . . 0.0 114.114 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.36 -35.01 79.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.81 0.338 . . . . 0.0 111.522 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.0 m -99.16 -5.7 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.723 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -54.7 -48.31 72.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.477 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -38.55 85.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.6 78.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.187 0.517 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 93' ' ' ILE . 77.0 t -65.26 -46.44 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.681 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.9 mt -59.72 -44.28 93.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.52 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -59.5 -41.2 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.035 0.445 . . . . 0.0 110.657 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.9 m -66.18 -51.12 60.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.067 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.0 mm -52.84 -47.38 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.686 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.415 ' HA2' ' SD ' ' A' ' 117' ' ' MET . . . -59.7 -46.71 93.57 Favored Glycine 0 C--N 1.33 0.226 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.875 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.99 -47.17 86.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.943 0.402 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.5 m -62.63 -44.69 95.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.32 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.571 HD12 HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -62.71 -40.96 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.128 0.489 . . . . 0.0 109.985 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -51.05 71.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.852 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.17 -39.41 49.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.037 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.436 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 29.7 p -55.77 -39.53 71.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.53 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mmm -53.05 -51.78 60.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.8 ptm -79.96 -25.8 40.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.052 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.73 -22.58 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.018 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.566 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -73.69 -67.14 0.62 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.659 175.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 160.41 -14.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.877 0.736 . . . . 0.0 110.793 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.38 12.75 63.9 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.911 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 m 63.12 176.42 0.15 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.123 0.487 . . . . 0.0 111.473 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.65 108.45 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.176 0.988 . . . . 0.0 110.67 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -75.89 174.13 10.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.097 -1.411 . . . . 0.0 110.545 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -124.36 6.94 8.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.694 0.283 . . . . 0.0 110.946 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.689 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -109.12 -58.64 2.0 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.032 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -58.31 -49.04 78.59 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.262 0.553 . . . . 0.0 110.394 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.571 HG23 HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -60.13 -29.15 68.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.612 178.166 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 111' ' ' ALA . 5.9 t30 -77.1 -44.6 29.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.577 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 35.5 mm-40 -51.91 -53.08 44.99 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.92 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 120' ' ' VAL . 80.4 t -56.94 -48.94 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.664 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.415 ' SD ' ' HA2' ' A' ' 94' ' ' GLY . 53.4 mmm -76.36 13.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -119.91 -43.3 2.56 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 167.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 68' ' ' THR . 18.9 mt -64.27 -41.7 96.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 116' ' ' VAL . 87.1 t -57.92 -35.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.713 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -72.86 -47.44 46.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.507 0.67 . . . . 0.0 110.745 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.8 ttp -71.92 -31.83 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.242 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -90.97 10.52 26.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.629 0.252 . . . . 0.0 111.443 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.453 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 24.9 p -121.42 -67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . 179.7 97.93 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.647 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -88.83 65.18 7.55 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.688 0.756 . . . . 0.0 109.438 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.4 m -121.79 -2.36 9.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.919 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.95 6.62 25.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.839 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -67.68 -38.4 83.67 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -101.96 100.11 10.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.686 169.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.31 100.13 3.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.739 0.78 . . . . 0.0 110.825 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 t -139.91 87.99 2.2 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.285 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.875 174.349 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.574 ' HB2' ' O ' ' A' ' 5' ' ' SER . 16.1 m 59.46 27.34 16.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.908 0.483 . . . . 0.0 111.764 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.76 34.28 16.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.767 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 66.03 25.76 10.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.584 0.706 . . . . 0.0 110.197 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 2' ' ' SER . 17.5 p -158.62 169.02 25.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.797 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 59.84 86.01 0.17 Allowed Pre-proline 0 N--CA 1.453 -0.319 0 O-C-N 123.732 0.645 . . . . 0.0 111.261 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.525 ' HD2' HD23 ' A' ' 63' ' ' LEU . 2.9 Cg_exo -76.22 -165.0 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.246 2.631 . . . . 0.0 112.612 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.442 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.7 tt -69.5 -7.47 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.548 -174.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -82.7 57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.354 0.597 . . . . 0.0 109.844 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 -45.9 4.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.799 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -138.69 137.61 20.32 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.443 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 80.6 Cg_exo -42.07 -54.43 2.98 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 124.155 3.237 . . . . 0.0 114.109 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.29 -45.44 65.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.664 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.86 41.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.467 -172.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.4 87.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.938 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -65.06 -29.27 70.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.256 -178.586 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -58.81 -53.29 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.3 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.442 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.24 -34.84 76.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.25 -176.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -63.33 -47.56 81.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.157 0.503 . . . . 0.0 110.835 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -69.35 -32.05 70.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.261 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.48 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 87.5 m-20 -66.89 -26.92 67.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 110.779 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.01 -41.32 86.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.97 -48.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.987 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.48 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.0 pp0? -64.76 -26.47 68.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.8 t -81.8 -47.22 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.817 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 1.09 38.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -100.48 -19.55 16.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.161 0.982 . . . . 0.0 108.947 176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.77 -14.58 15.49 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.943 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.0 p -61.55 -41.29 97.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.147 177.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.06 6.91 81.34 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.964 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.494 HG13 HD12 ' A' ' 32' ' ' LEU . 2.8 p -96.89 -19.17 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.974 0.416 . . . . 0.0 110.531 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD12 HG13 ' A' ' 31' ' ' VAL . 10.7 mp -86.81 165.85 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.757 175.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -88.82 168.7 12.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.662 0.268 . . . . 0.0 110.515 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.09 70.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 0.0 109.924 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.35 -55.21 9.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.723 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 40' ' ' MET . 73.8 mt-30 -56.33 -43.54 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.219 -174.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.6 ptp -68.44 -22.85 64.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.33 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -80.96 -39.86 25.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -34.26 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.394 176.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 93.2 mmm -58.5 -34.02 70.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.94 -52.21 39.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.214 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -67.38 -27.22 66.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.585 ' SD ' HG12 ' A' ' 74' ' ' VAL . 34.1 ttp -63.17 -47.79 81.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.386 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.28 88.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.838 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.31 -47.1 82.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.564 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t -56.88 -38.69 73.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -67.21 -52.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.528 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.655 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -69.08 -32.92 72.71 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.71 -176.086 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.602 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 24.3 t -62.39 -48.36 80.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.092 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.57 -31.42 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.797 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.553 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.9 tmm? -74.49 -28.93 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 78.0 mt-30 -68.52 -40.28 80.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 110.264 175.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' A' ' 49' ' ' SER . 13.3 mptt -76.01 -8.95 58.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.739 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.54 ' HB3' ' O ' ' A' ' 51' ' ' MET . 31.4 ttm -73.35 -52.59 13.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.656 173.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.38 145.41 18.14 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.504 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.4 127.15 18.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.66 2.24 . . . . 0.0 111.371 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 60.75 70.56 0.94 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.28 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.447 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 61.0 Cg_endo -95.68 174.29 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.605 2.87 . . . . 0.0 113.083 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.84 142.17 68.31 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.233 1.955 . . . . 0.0 111.578 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -52.75 -36.09 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.631 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -66.3 -24.24 66.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' A' ' 66' ' ' MET . 8.2 mmt180 -70.64 -33.11 70.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.995 0.426 . . . . 0.0 110.211 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.525 HD23 ' HD2' ' A' ' 7' ' ' PRO . 6.0 mp -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.235 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.9 ttt85 -79.61 -11.61 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.109 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.36 -10.11 45.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.965 0.412 . . . . 0.0 111.333 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.0 mmm -89.45 -30.87 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.4 -44.34 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.854 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 m -63.03 -47.54 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.838 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -63.29 -47.95 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.759 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -68.62 -41.85 78.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.0 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.137 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.55 49.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.1 mm-40 -76.41 -45.55 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.499 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.585 HG12 ' SD ' ' A' ' 43' ' ' MET . 32.9 m -67.75 -24.64 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.326 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.47 -28.49 69.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.721 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -45.2 91.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.674 -176.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 74' ' ' VAL . 34.2 m -72.87 -34.44 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.798 0.332 . . . . 0.0 111.037 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.68 -39.11 75.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.589 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.34 -6.33 34.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.418 . . . . 0.0 111.46 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -91.57 -7.08 51.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.366 0.603 . . . . 0.0 110.133 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.2 m -94.91 130.8 31.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.644 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.5 157.5 46.01 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.76 2.306 . . . . 0.0 111.468 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -44.15 -49.01 9.02 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.362 2.708 . . . . 0.0 114.387 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.07 -36.56 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 m -90.38 -14.17 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.176 0.512 . . . . 0.0 110.467 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.4 -56.56 20.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.582 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -65.91 -27.58 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.324 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.93 82.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.237 0.541 . . . . 0.0 109.834 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 93' ' ' ILE . 92.0 t -72.06 -40.7 67.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.982 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.7 -52.55 63.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.653 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -57.17 -40.64 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.588 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.3 m -62.25 -41.92 98.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.788 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 49.2 mm -58.35 -49.68 81.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.26 -36.13 84.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.635 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.87 -45.92 73.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.701 0.286 . . . . 0.0 110.885 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.87 7.0 22.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.309 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -111.0 -21.42 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 176.652 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 108' ' ' VAL . 38.2 ptt180 -79.86 -48.69 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.479 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -38.75 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.383 . . . . 0.0 111.431 -176.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.6 p -56.93 -32.63 66.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.49 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.427 ' HB3' ' O ' ' A' ' 107' ' ' SER . 58.1 mmm -62.39 -46.79 87.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.529 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.6 ptp -76.37 -30.94 57.77 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.22 -13.5 62.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 175.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.96 -64.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.036 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.4 t -179.88 -49.9 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 34.16 2.85 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.028 -0.606 . . . . 0.0 114.408 -167.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 101' ' ' MET . 21.9 m 54.6 -164.41 0.11 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 111.321 178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 98' ' ' ARG . 32.7 t -94.91 89.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.41 133.47 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.118 -174.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -74.1 -21.36 59.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.996 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.06 -47.06 5.65 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.312 -0.155 . . . . 0.0 110.805 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.2 -61.62 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.312 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.0 p -58.61 -37.96 76.98 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.095 0.474 . . . . 0.0 110.853 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.52 -50.53 64.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.577 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.28 -43.51 81.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.768 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 120' ' ' VAL . 79.6 t -59.12 -48.38 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.274 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.8 mmt -53.96 -49.5 68.61 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -57.1 -50.04 74.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.659 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.26 -48.82 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.92 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 116' ' ' VAL . 95.3 t -55.72 -55.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.7 0.286 . . . . 0.0 110.669 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.45 -37.75 73.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.207 0.527 . . . . 0.0 111.364 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 44.6 ttp -76.37 -46.49 27.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.936 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.34 -8.05 55.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.365 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.6 m -102.39 -5.59 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.096 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -98.24 88.53 4.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.573 0.702 . . . . 0.0 110.167 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 127' ' ' SER . 23.6 t70 -158.01 102.27 1.8 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.397 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 126' ' ' ASP . 54.1 m 69.83 5.57 5.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.178 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.87 92.74 7.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -158.39 -38.63 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.029 0.442 . . . . 0.0 111.358 -173.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -86.3 155.87 20.48 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.184 0.516 . . . . 0.0 111.329 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.15 112.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.636 172.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.5 m -68.62 -62.44 1.39 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.036 174.16 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t 58.72 49.69 9.8 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.475 0.655 . . . . 0.0 109.647 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.86 51.57 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.229 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -138.37 138.59 38.42 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 p -77.12 69.26 3.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.54 . . . . 0.0 111.513 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -125.96 77.98 70.41 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.61 173.51 12.43 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.997 2.465 . . . . 0.0 113.483 -173.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 8' ' ' ILE . 5.9 tp -64.36 -13.06 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.921 -177.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -78.15 4.88 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -84.09 -2.79 57.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.72 0.295 . . . . 0.0 111.722 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -149.42 113.65 3.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.247 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 77.7 Cg_exo -51.08 -43.64 47.0 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.31 2.673 . . . . 0.0 112.988 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.58 -40.6 97.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.604 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.36 -44.97 64.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.847 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.9 79.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.464 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.269 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.2 m -59.57 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.265 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -30.22 67.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.329 -177.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -65.24 -45.69 83.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.573 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.76 -37.47 82.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 95.2 m-20 -66.0 -33.1 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.089 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.88 -44.39 96.22 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -51.77 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.792 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.6 pp0? -63.93 -32.06 73.46 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.869 0.366 . . . . 0.0 110.687 -175.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.39 -51.07 56.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.728 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 68.6 m -67.95 -15.21 63.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.503 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -114.21 8.6 16.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -71.71 -46.84 57.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.139 0.495 . . . . 0.0 110.917 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.76 4.08 73.2 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.86 -42.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.307 0.575 . . . . 0.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 ' HG2' ' A' ' 36' ' ' GLN . 7.2 mp -86.17 157.79 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.997 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -80.81 164.63 22.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.715 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.1 68.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.677 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -79.57 -44.9 20.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.802 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.419 ' HG2' HD23 ' A' ' 32' ' ' LEU . 62.0 tt0 -64.61 -40.88 96.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.021 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.728 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 57.0 mtm -70.59 -39.84 73.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.854 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -71.64 -32.13 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.82 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.6 t70 -61.37 -32.52 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mtp -64.95 -29.28 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.52 -41.93 93.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.079 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.498 ' HA ' ' OD2' ' A' ' 45' ' ' ASP . 20.7 ptp -80.7 -17.58 50.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.181 0.515 . . . . 0.0 110.148 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 73' ' ' GLU . 15.0 tmm? -66.52 -34.96 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.289 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.37 75.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.444 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.498 ' OD2' ' HA ' ' A' ' 42' ' ' MET . 20.5 m-20 -63.47 -22.22 66.76 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.994 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.658 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.3 t -79.34 -46.68 17.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.69 -52.43 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.482 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.408 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 17.6 p30 -69.01 -30.19 68.53 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -63.64 -46.46 85.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.957 0.408 . . . . 0.0 110.037 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 46' ' ' SER . 58.5 mt-30 -71.14 -36.84 72.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.467 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 56.2 ttp -62.18 -39.2 91.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.114 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.4 -28.36 56.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.647 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 59.6 pttt -81.92 -12.75 58.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.304 0.573 . . . . 0.0 109.772 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.696 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 60.8 ttp -79.03 -33.74 44.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.445 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.96 146.35 12.38 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.926 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.34 19.61 0.92 Allowed 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.875 2.383 . . . . 0.0 111.927 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -166.5 61.36 0.65 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HG2' HD11 ' A' ' 63' ' ' LEU . 97.7 Cg_endo -91.25 162.08 3.74 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.206 2.604 . . . . 0.0 114.434 -166.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 2.9 Cg_exo -75.19 153.04 40.59 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.115 2.543 . . . . 0.0 111.791 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -59.04 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -65.53 -23.17 66.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.635 0.255 . . . . 0.0 111.319 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.696 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 29.4 mmt180 -70.92 -44.23 66.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.95 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.2 mp -62.97 -36.78 84.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.185 -175.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.34 -18.38 64.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.59 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.74 -16.01 16.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.7 mmm -72.39 -27.49 62.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.351 0.596 . . . . 0.0 110.206 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -59.85 -51.36 70.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.407 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.7 m -63.64 -39.8 95.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.758 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.83 -46.63 87.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.9 ttm -64.14 -48.17 77.07 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.226 0.536 . . . . 0.0 109.857 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.85 73.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.014 -176.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.22 75.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.238 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HB3' ' HG2' ' A' ' 43' ' ' MET . 7.7 mm-40 -73.65 -42.28 61.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.512 . . . . 0.0 109.934 178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.21 -28.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.56 -31.32 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.171 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -60.67 -53.96 51.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.275 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 80' ' ' THR . 34.5 m -67.7 -29.91 46.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.977 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.7 t -72.41 -43.47 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.803 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -21.99 66.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 77' ' ' VAL . 0.7 OUTLIER -79.36 -5.91 55.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 111.122 -177.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 15.1 m -90.93 128.94 45.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.896 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 81' ' ' SER . 24.0 Cg_exo -64.61 150.35 88.35 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.549 2.166 . . . . 0.0 111.285 173.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.03 -29.05 53.01 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.133 2.556 . . . . 0.0 112.711 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.04 -28.63 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.817 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 m -122.01 -1.56 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.924 0.392 . . . . 0.0 110.814 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -62.07 -46.01 91.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.356 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -29.71 69.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.525 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.55 -36.46 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.1 t -68.85 -35.67 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.895 177.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -58.2 7.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.55 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -66.74 -36.33 82.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.14 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.7 m -60.54 -51.16 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.0 mm -57.25 -49.54 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -44.88 96.97 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.012 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.76 -51.56 54.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.685 0.279 . . . . 0.0 111.066 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.07 -38.18 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.866 -176.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tt -73.04 -39.38 66.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 110.402 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.449 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.1 ttm180 -64.57 -35.56 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 111.133 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 25.7 mm-40 -74.91 -58.09 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.056 0.455 . . . . 0.0 110.314 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.479 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 30.8 p -54.84 -35.15 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.472 -173.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 107' ' ' SER . 25.1 ttt -56.46 -47.62 78.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.144 0.278 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.42 -13.82 45.16 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.629 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.479 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.3 OUTLIER -67.33 -26.49 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.707 173.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.561 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -70.53 -70.23 0.31 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.3 t 164.11 -19.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.538 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.26 16.11 50.31 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.443 -176.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 101' ' ' MET . 55.8 m 62.28 179.89 0.13 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.013 0.435 . . . . 0.0 110.969 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.483 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 2.8 p -116.67 102.32 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.687 0.756 . . . . 0.0 109.716 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.92 145.05 47.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.221 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -75.62 -23.82 56.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.688 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.31 8.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.305 -0.158 . . . . 0.0 110.794 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.1 -57.13 12.23 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.576 0.547 . . . . 0.0 111.091 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.6 p -58.49 -41.81 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.222 0.534 . . . . 0.0 110.856 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -65.0 -47.03 78.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.99 -50.51 71.79 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 122.795 0.438 . . . . 0.0 110.84 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 120' ' ' VAL . 95.3 t -59.77 -43.6 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.83 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -50.51 69.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.412 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -67.77 -42.05 82.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.51 -50.35 74.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.712 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 116' ' ' VAL . 93.1 t -56.42 -42.27 74.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.756 0.313 . . . . 0.0 110.861 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.485 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . 0.2 OUTLIER -67.73 -50.65 56.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.569 178.7 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.4 tmm? -63.48 -24.69 67.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.768 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.2 mt -93.18 5.38 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -131.79 -59.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.972 0.415 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -157.18 110.3 2.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.738 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -77.46 -20.49 54.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.271 0.558 . . . . 0.0 111.97 -171.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.4 m -116.92 8.76 13.59 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.769 -175.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.65 97.62 11.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.473 0.654 . . . . 0.0 110.969 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.35 -36.94 0.13 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.495 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 68.64 100.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.092 -177.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 11.8 p -163.56 137.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.251 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.2 m -81.6 65.85 6.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.339 0.59 . . . . 0.0 111.342 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.513 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -71.28 113.09 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.668 0.27 . . . . 0.0 110.289 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.596 ' HA2' ' OD1' ' A' ' 109' ' ' ASP . . . 168.31 96.07 0.1 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.382 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -103.83 -174.19 2.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 p -95.94 1.85 53.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.83 0.347 . . . . 0.0 111.503 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -124.27 87.4 53.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.555 ' O ' HG22 ' A' ' 8' ' ' ILE . 64.3 Cg_endo -74.5 69.89 5.02 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.827 2.351 . . . . 0.0 113.917 -172.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.576 HD13 ' SD ' ' A' ' 18' ' ' MET . 12.3 tt 63.7 -17.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 125.622 1.569 . . . . 0.0 114.77 167.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.556 ' HB2' HD22 ' A' ' 63' ' ' LEU . 92.4 m95 -71.59 -4.23 25.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -84.22 -6.89 59.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.758 0.314 . . . . 0.0 110.92 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -130.42 99.8 18.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 109.987 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 67.2 Cg_exo -51.66 -43.46 50.68 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.468 2.779 . . . . 0.0 113.716 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.08 -44.6 87.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.858 0.361 . . . . 0.0 110.449 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.29 70.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.823 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -62.66 -43.04 99.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.041 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.659 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.3 mmt -68.62 -29.27 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.324 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -58.73 -43.9 90.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.576 ' SD ' HD13 ' A' ' 8' ' ' ILE . 25.8 mtm -60.57 -56.0 26.59 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.511 0.672 . . . . 0.0 110.04 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -60.2 -42.32 94.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.984 -171.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.75 -41.87 91.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 110.487 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 78.9 m-20 -66.9 -35.8 80.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.21 -49.66 76.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.912 0.387 . . . . 0.0 110.321 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.38 -46.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.832 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -69.5 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.61 -175.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.43 -49.67 68.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -66.78 -26.12 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.0 t -75.4 -17.83 60.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.59 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -116.56 18.51 15.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.388 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.0 p -77.13 -44.59 29.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.367 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 -1.16 76.37 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -173.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -101.58 -36.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.861 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 19.0 mt -85.66 179.36 7.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 37' ' ' MET . 10.0 t -119.13 166.52 12.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.888 0.375 . . . . 0.0 110.669 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.59 -43.23 99.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.431 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.36 -29.07 65.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.233 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.1 mtt -68.19 -37.08 80.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.57 -38.83 77.55 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.65 -35.74 81.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.192 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.66 -37.12 86.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.8 83.42 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.593 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.64 -24.44 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -63.29 -40.99 98.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.72 91.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.024 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.95 -39.9 91.29 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -59.79 -40.37 88.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.038 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.47 -56.74 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.783 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.659 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 22.6 p30 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 t -65.48 -53.08 47.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -64.08 -36.4 83.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.887 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.551 ' SD ' ' HB3' ' A' ' 15' ' ' ALA . 46.0 ttp -64.56 -41.08 96.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.24 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -67.55 -20.33 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -99.29 3.83 46.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.256 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.433 ' HE1' ' HB3' ' A' ' 9' ' ' TRP . 11.1 ttp -77.47 -43.87 30.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.931 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.98 127.58 5.15 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.583 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.89 142.91 99.0 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 41.3 m-80 59.07 54.63 5.01 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 40.5 Cg_endo -95.84 174.36 0.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.997 2.464 . . . . 0.0 112.937 -173.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.86 155.61 53.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.443 2.095 . . . . 0.0 110.594 171.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -69.37 -14.33 62.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -172.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -68.9 -21.65 64.22 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.337 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -74.68 -50.73 16.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 110.056 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 9' ' ' TRP . 15.8 mt -63.68 -45.42 90.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.738 -176.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -60.24 -23.75 64.31 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.997 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.18 -0.82 57.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.455 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 97.2 mmm -103.07 -34.16 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.539 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -44.49 95.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.603 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.541 HG23 ' CD2' ' A' ' 119' ' ' LEU . 41.6 m -69.13 -29.21 67.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.45 . . . . 0.0 110.722 176.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.19 -50.69 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.203 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.5 ' O ' HG22 ' A' ' 74' ' ' VAL . 34.3 ttm -57.99 -47.36 83.24 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.033 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.67 -40.75 72.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.572 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.83 67.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 42.8 mm-40 -63.75 -44.38 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 70' ' ' MET . 28.7 m -76.96 -22.38 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.5 71.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.14 -41.47 92.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.51 -42.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.144 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.78 -36.77 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.888 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.51 -27.2 68.42 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.4 m -71.66 -19.25 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 111.351 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -71.57 130.33 87.48 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.513 -174.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.53 143.03 98.57 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.523 2.149 . . . . 0.0 111.094 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -31.97 76.26 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.908 2.405 . . . . 0.0 112.903 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -85.21 2.15 45.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.582 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.2 t -125.2 -10.07 7.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 109.938 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -54.78 -46.25 74.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.527 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 m -57.02 -39.15 74.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.281 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.89 64.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.043 0.449 . . . . 0.0 110.459 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 93' ' ' ILE . 77.3 t -68.57 -48.0 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.708 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -59.02 -43.52 91.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.552 -178.66 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -64.38 -32.83 74.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -66.11 -41.94 89.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.865 0.364 . . . . 0.0 110.2 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 89' ' ' VAL . 51.3 mm -58.8 -52.09 64.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.669 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.4 99.48 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.732 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.37 -52.73 63.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.649 0.261 . . . . 0.0 111.284 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 97.2 m -64.27 -42.94 96.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.89 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.657 0.265 . . . . 0.0 110.435 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -56.35 -53.88 52.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.816 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 9.8 pt-20 -69.75 -42.8 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.181 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.6 m -58.37 -38.96 78.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.409 ' HA ' ' HG2' ' A' ' 18' ' ' MET . 21.7 ttt -64.62 -52.56 56.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 111.263 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 19.0 ptm -74.68 -24.42 58.78 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.136 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -61.05 -28.28 68.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.891 177.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -71.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.7 t 174.91 -31.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.953 0.406 . . . . 0.0 110.957 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.64 11.09 65.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.465 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 m 63.23 -175.43 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.026 0.441 . . . . 0.0 111.196 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.417 HG23 HG21 ' A' ' 113' ' ' THR . 2.0 p -106.74 107.65 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 121.736 0.779 . . . . 0.0 110.006 -176.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.596 ' OD1' ' HA2' ' A' ' 3' ' ' GLY . 22.0 t70 -71.77 150.23 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.709 -175.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -81.17 -26.48 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.231 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -92.32 -43.26 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.701 0.286 . . . . 0.0 110.554 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.412 ' O ' HG23 ' A' ' 116' ' ' VAL . 34.3 t80 -53.92 -58.51 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.664 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.417 HG21 HG23 ' A' ' 108' ' ' VAL . 38.3 p -61.58 -40.97 96.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -65.72 -40.78 92.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.615 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.85 -50.16 69.94 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.0 t -54.09 -52.69 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.142 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 49.2 mmm -73.11 7.1 2.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -107.81 -54.19 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.541 ' CD2' HG23 ' A' ' 68' ' ' THR . 9.8 mp -70.45 -36.07 73.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.126 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.14 -36.82 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.194 0.521 . . . . 0.0 110.461 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -78.8 -49.31 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.397 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 59.8 ttp -66.56 -34.16 77.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.324 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.3 mt -83.44 4.72 26.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.122 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.3 p -130.37 -68.2 0.7 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.914 0.388 . . . . 0.0 110.169 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -174.58 110.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.865 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -94.06 5.99 49.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.768 0.794 . . . . 0.0 109.816 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.4 m -67.29 -17.78 64.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.451 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.96 25.13 9.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.26 0.552 . . . . 0.0 110.615 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.87 -21.17 57.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.855 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.64 93.56 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.436 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.437 HG22 ' H ' ' A' ' 133' ' ' THR . 12.5 p -83.19 131.91 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.546 0.689 . . . . 0.0 111.131 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.4 p -102.72 25.29 9.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.048 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.437 ' H ' HG22 ' A' ' 131' ' ' VAL . 15.2 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.203 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -114.72 -11.18 12.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.47 . . . . 0.0 110.592 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.34 -122.44 5.74 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.049 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -136.93 -58.96 0.71 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.575 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 17.7 t -156.25 31.46 0.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -101.04 97.96 7.88 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.893 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 5' ' ' SER . 5.9 Cg_exo -77.01 -69.48 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.842 2.361 . . . . 0.0 112.517 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.2 tt -128.84 -6.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.394 0.616 . . . . 0.0 110.579 -178.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -89.05 9.14 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.701 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -36.68 83.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.836 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.67 134.42 23.51 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.302 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.1 -38.99 93.2 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.423 2.748 . . . . 0.0 113.133 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.87 -43.49 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.256 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.25 59.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -57.27 -55.91 28.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.257 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.413 ' SD ' ' HE2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -62.05 -29.41 70.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.12 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.531 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 0.0 OUTLIER -70.6 -28.85 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.473 -175.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -71.41 -42.77 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.644 0.259 . . . . 0.0 110.727 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.16 -44.79 75.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.676 0.274 . . . . 0.0 110.89 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.71 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.25 -48.69 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.77 -47.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.035 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.51 -31.26 72.4 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.48 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -66.93 -47.73 70.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.213 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.58 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.512 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.2 t -66.86 -21.58 66.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -112.06 11.81 20.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -75.51 -45.79 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.23 4.47 86.39 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.52 -41.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.096 0.474 . . . . 0.0 110.551 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mp -83.02 157.94 22.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.415 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 p -77.02 168.3 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.92 -24.52 67.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 110.236 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.15 -50.28 10.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.611 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -52.41 -44.31 65.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.818 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.9 mtm -66.19 -35.31 80.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.195 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.49 -34.74 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.481 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.19 -39.53 82.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 0.0 110.091 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mtp -70.09 -33.98 72.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.52 -48.86 84.1 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.258 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -72.03 -23.37 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 110.535 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.09 -42.76 96.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.772 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.59 82.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -63.21 -41.7 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.041 0.448 . . . . 0.0 110.273 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.5 t -62.08 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.549 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.43 -38.94 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.671 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -49.94 -54.29 20.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.134 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -63.11 -41.19 99.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.687 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 49.9 mt-30 -72.97 -32.72 65.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.704 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.413 ' HE2' ' SD ' ' A' ' 16' ' ' MET . 15.9 tmm? -72.08 -41.77 66.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.874 0.369 . . . . 0.0 110.455 176.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.77 -31.7 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.518 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 62.7 pttt -72.02 -15.84 62.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.001 0.429 . . . . 0.0 110.395 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 35.9 ttp -82.25 -44.02 16.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.178 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 -177.03 53.5 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.512 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 152.55 51.61 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.351 2.701 . . . . 0.0 112.426 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 94.1 m-20 51.7 64.83 7.22 Favored Pre-proline 0 N--CA 1.466 0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.3 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' A' ' 54' ' ' MET . 4.5 Cg_exo -77.74 128.57 9.44 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.799 2.333 . . . . 0.0 112.614 -176.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.15 163.25 29.64 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.535 2.157 . . . . 0.0 111.447 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -55.65 -40.84 72.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -68.38 -11.8 60.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.532 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 23.0 mmt180 -83.12 -46.35 12.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.284 -0.26 . . . . 0.0 110.61 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.468 HD22 ' H ' ' A' ' 63' ' ' LEU . 2.2 mm? -64.64 -33.99 77.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.192 0.52 . . . . 0.0 109.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -66.13 -23.78 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.886 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.27 -34.24 20.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.845 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.29 -38.7 81.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.19 -40.17 92.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.479 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 m -76.89 -32.75 57.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.49 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.3 -46.03 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.5 ttm -69.41 -50.56 44.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.359 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.67 -43.17 80.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.649 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.18 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 58.6 mm-40 -76.38 -43.39 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 77' ' ' VAL . 22.7 m -75.16 -17.62 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.759 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.88 55.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.273 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.8 -49.98 75.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 74' ' ' VAL . 11.2 m -69.16 -27.74 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 110.728 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 120' ' ' VAL . 61.1 t -73.59 -38.62 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.197 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.78 -28.45 69.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.675 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 m -72.67 -10.74 60.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.068 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.4 m -93.6 114.89 64.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 84' ' ' GLN . 72.1 Cg_endo -77.07 167.47 24.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.624 2.216 . . . . 0.0 112.129 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.731 ' O ' ' HA ' ' A' ' 130' ' ' GLU . 38.6 Cg_endo -68.3 29.86 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.278 2.652 . . . . 0.0 113.572 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' A' ' 82' ' ' PRO . 75.9 mt-30 -127.55 -2.9 6.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.12 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -152.94 14.95 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 111.059 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.41 -50.75 43.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.485 -176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.674 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 38.8 m -76.57 8.3 3.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.25 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.98 -41.14 6.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 93' ' ' ILE . 94.5 t -76.97 -50.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.17 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -38.97 76.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.239 0.542 . . . . 0.0 109.778 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.674 ' HB2' ' O ' ' A' ' 87' ' ' SER . 8.9 t-20 -56.37 -49.01 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.23 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 m -64.33 -42.81 96.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.073 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -58.2 -56.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.9 -35.77 92.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.717 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -70.57 -54.97 9.99 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 111.149 -177.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.53 -29.9 70.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.995 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -66.76 -54.45 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.954 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 3.2 ptp180 -61.47 -41.23 96.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.486 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 40.3 mm-40 -58.99 -56.07 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 111.075 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.531 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 23.4 m -56.87 -35.45 68.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.711 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.7 mmm -54.47 -54.3 42.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.54 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.1 ptm -78.28 -18.26 55.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.399 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -77.97 -18.7 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.57 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.02 -62.47 1.66 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.2 t 165.65 -20.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.67 0.606 . . . . 0.0 111.25 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.76 15.93 34.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.76 -173.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.2 p 52.25 -172.16 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.447 0.699 . . . . 0.0 111.768 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.37 91.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.954 0.407 . . . . 0.0 110.004 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.59 111.02 9.37 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -65.29 -38.1 89.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.253 -174.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.67 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.311 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 116' ' ' VAL . 88.6 t80 -60.54 -55.24 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 p -58.43 -42.87 88.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.525 0.203 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.65 -43.17 99.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.361 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.71 -42.17 86.8 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-O 120.699 0.285 . . . . 0.0 110.58 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 120' ' ' VAL . 98.6 t -58.83 -51.75 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.057 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.432 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.7 mmt -53.67 -47.11 70.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.796 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -54.29 -57.34 11.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.34 -49.88 72.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.051 -176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 116' ' ' VAL . 79.5 t -53.53 -48.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.688 0.28 . . . . 0.0 111.421 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -68.7 -43.77 75.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.82 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 47.7 ttp -66.68 -30.52 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.994 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.19 5.24 42.45 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 p -135.34 -69.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -166.76 113.39 0.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.717 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -113.67 17.7 18.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.437 0.637 . . . . 0.0 110.224 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.9 m -125.55 7.06 7.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.286 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.84 98.69 11.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.727 0.299 . . . . 0.0 110.951 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -118.06 142.45 47.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.731 ' HA ' ' O ' ' A' ' 83' ' ' PRO . 24.2 mp0 -58.55 120.88 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.362 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 48.3 t -71.86 110.8 5.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.5 t -74.13 78.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.401 0.619 . . . . 0.0 110.413 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.057 178.082 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -88.14 132.72 34.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.6 156.34 26.95 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.8 t30 70.19 -65.67 0.31 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.019 0.528 . . . . 0.0 111.34 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 p -107.06 155.86 19.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.305 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' OE1' HD11 ' A' ' 63' ' ' LEU . 19.0 mm-40 60.79 81.94 0.23 Allowed Pre-proline 0 C--O 1.235 0.312 0 O-C-N 123.571 0.544 . . . . 0.0 111.464 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 8' ' ' ILE . 11.2 Cg_endo -88.94 96.53 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.115 2.543 . . . . 0.0 113.34 -175.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 7' ' ' PRO . 12.5 tt 64.99 -32.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.907 1.683 . . . . 0.0 114.863 170.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -70.94 -5.37 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.289 0.495 . . . . 0.0 111.034 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -18.6 64.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 175.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -130.53 103.79 16.21 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.875 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.9 -35.71 71.83 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.842 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.84 -43.87 97.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.383 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.21 -43.28 74.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.142 0.496 . . . . 0.0 110.733 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -63.52 -41.45 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.001 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -69.4 -37.37 77.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.173 177.514 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.9 m -59.29 -48.47 81.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.386 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -64.28 -36.59 84.58 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.091 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -79.74 -34.28 40.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.787 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.515 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 81.4 m-20 -68.37 -23.91 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.9 -37.71 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.73 -46.18 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.77 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 5.3 pp0? -68.49 -35.36 77.42 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.881 -175.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.81 -45.89 70.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.352 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -69.44 -24.19 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.655 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.1 t -70.18 -19.68 63.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -113.42 21.95 14.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.265 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.2 p -82.69 -43.6 16.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.261 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.63 12.57 71.98 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.95 -43.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.569 -0.315 . . . . 0.0 111.241 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 49.8 mt -77.77 173.67 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.276 0.56 . . . . 0.0 111.675 -174.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -96.65 169.49 9.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.349 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 -28.72 68.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.503 . . . . 0.0 109.764 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.15 -52.39 23.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.945 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 40' ' ' MET . 77.2 mt-30 -57.45 -49.08 77.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.894 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.655 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.0 mtm -61.48 -37.26 82.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.64 -38.31 29.41 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.753 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.33 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.379 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.2 mtp -60.31 -36.24 77.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.145 0.497 . . . . 0.0 110.624 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.17 -24.08 76.83 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.721 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.7 mtm -85.07 -31.81 23.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.397 0.142 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 1.5 ptt? -70.22 -33.5 71.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.43 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -61.3 -28.84 69.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.224 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.21 -46.46 88.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.1 m -64.77 -28.07 69.32 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.937 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.39 -54.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -70.93 -28.25 64.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.178 -178.72 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -59.82 -42.77 94.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.056 0.455 . . . . 0.0 109.932 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.94 -30.66 56.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.706 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.489 ' O ' ' HB3' ' A' ' 54' ' ' MET . 52.2 ttp -70.16 -34.45 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 54.9 mt-30 -66.61 -27.65 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 110.307 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -89.18 10.79 20.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.624 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.711 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 39.4 ttm -89.49 -44.94 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.914 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.39 166.92 20.29 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.171 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.6 20.05 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.174 2.583 . . . . 0.0 112.55 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -167.51 84.69 0.8 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.711 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 37.7 Cg_endo -66.66 123.73 11.45 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 123.15 2.567 . . . . 0.0 114.347 -170.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.37 157.33 33.02 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.908 2.405 . . . . 0.0 110.515 167.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -59.11 -32.5 69.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -70.25 -12.78 61.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.255 -178.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.12 -43.18 12.46 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.476 HD11 ' OE1' ' A' ' 6' ' ' GLN . 63.9 mt -61.52 -43.92 97.99 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -30.51 71.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.885 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.8 -43.87 12.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 95.8 mmm -63.98 -36.46 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -172.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -64.61 -34.93 79.42 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.492 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -84.07 -39.08 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.952 0.405 . . . . 0.0 110.353 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.38 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -72.33 -43.32 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.98 -32.64 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.45 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.61 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.523 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -76.06 -30.95 58.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.5 m -74.4 -23.39 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.41 -18.69 59.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.017 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -61.2 -49.29 77.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.14 -24.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.714 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 86' ' ' TYR . 23.3 t -78.57 -30.6 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.171 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.78 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -80.34 -0.7 37.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.346 0.594 . . . . 0.0 110.369 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -101.58 123.27 44.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.22 147.78 74.23 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.669 2.246 . . . . 0.0 111.838 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.03 -39.19 25.19 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.574 2.849 . . . . 0.0 114.117 -175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.51 -24.65 60.18 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m -102.63 -8.79 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.382 0.611 . . . . 0.0 109.988 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.525 ' CE2' HG12 ' A' ' 78' ' ' VAL . 41.4 t80 -60.1 -43.79 95.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.389 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 m -56.09 -35.95 67.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.807 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.07 -36.49 64.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.168 0.509 . . . . 0.0 110.212 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.24 -45.31 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.589 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 90' ' ' LEU . 1.6 tm? -57.54 -50.12 74.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.734 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -60.49 -37.13 80.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -61.16 -49.98 75.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.48 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mm -59.07 -48.34 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.589 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.41 -47.76 89.53 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 113.005 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.29 69.68 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.944 0.402 . . . . 0.0 111.003 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.11 -38.06 89.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.641 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.98 -43.99 94.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.514 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -57.04 -56.27 23.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 102' ' ' MET . 9.8 pt-20 -63.77 -40.78 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.544 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.7 m -58.16 -31.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.98 -40.47 83.12 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.823 0.344 . . . . 0.0 110.794 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 14.7 ptm -83.08 -19.32 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.507 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -71.98 -21.25 61.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.087 0.47 . . . . 0.0 109.857 172.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.48 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -82.04 -69.18 0.64 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.327 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.1 t 173.37 -24.15 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.376 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.06 7.26 71.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.906 -172.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.6 t 63.22 -165.71 0.24 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.913 0.356 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.4 t -106.76 102.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.06 160.03 32.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.232 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -117.76 2.05 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -173.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.48 -49.89 2.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.672 0.273 . . . . 0.0 110.477 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 116' ' ' VAL . 66.3 t80 -60.57 -61.6 2.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.677 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -30.68 68.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.29 0.567 . . . . 0.0 110.913 -177.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.514 ' O ' ' HB2' ' A' ' 117' ' ' MET . 35.3 t30 -74.04 -46.22 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.24 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.52 -31.29 65.2 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 122.274 -0.266 . . . . 0.0 110.59 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 120' ' ' VAL . 53.7 t -59.49 -43.95 91.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 170.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.514 ' HB2' ' O ' ' A' ' 114' ' ' ASN . 2.9 mmt -54.11 -51.12 65.22 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 174.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.88 -42.06 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.698 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.99 -48.76 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.516 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 116' ' ' VAL . 95.4 t -56.49 -42.87 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.719 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.462 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 49.1 mttt -60.97 -46.43 90.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.194 178.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -82.19 -26.49 33.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.429 -173.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -93.03 15.26 15.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.726 0.298 . . . . 0.0 111.474 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 p -123.66 -64.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.373 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -171.75 118.51 0.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.39 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.12 67.67 5.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.701 0.762 . . . . 0.0 109.64 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 40.7 m -140.77 20.74 2.33 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.179 177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.31 8.35 36.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.015 -172.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -65.21 118.49 9.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.56 . . . . 0.0 109.926 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.18 137.75 47.13 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.258 -172.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.95 124.48 44.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.4 p -74.88 73.3 2.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.454 0.645 . . . . 0.0 111.805 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.314 174.87 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.546 -0.621 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m 59.58 70.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.217 0.532 . . . . 0.0 110.959 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -135.91 130.55 5.38 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -154.45 149.59 26.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.657 0.265 . . . . 0.0 110.56 -177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -75.74 7.81 3.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 2.4 mp0 -103.7 107.59 56.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 122.29 -0.256 . . . . 0.0 110.68 177.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -69.9 -164.6 0.13 Allowed 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 123.101 2.534 . . . . 0.0 113.549 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' ILE . 5.1 tp -68.07 -18.06 23.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.183 -176.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -79.85 29.47 0.26 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 111.244 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 6' ' ' GLN . 0.6 OUTLIER -86.85 -42.29 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.09 0.471 . . . . 0.0 111.348 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -116.49 121.06 33.78 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.237 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.716 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.9 Cg_endo -53.87 -39.2 85.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.935 2.423 . . . . 0.0 112.524 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -65.8 -41.76 91.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.602 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.94 66.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.009 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.24 91.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.663 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -61.99 -39.22 91.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.62 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.429 HG21 ' HA ' ' A' ' 104' ' ' ALA . 84.0 m -57.92 -51.04 71.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.336 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -27.69 66.52 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.235 -177.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -71.11 -48.21 53.56 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.962 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.84 -35.51 80.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.628 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.488 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m-80 -65.4 -27.12 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.013 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.32 -42.35 98.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.6 t -68.11 -47.28 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.488 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 5.3 pp0? -65.76 -35.03 79.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.733 0.301 . . . . 0.0 110.813 -176.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -69.57 -43.39 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -70.24 -27.87 64.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.609 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.687 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.7 t -68.99 -20.62 64.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -105.62 10.13 33.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.206 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -72.02 -47.05 54.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.066 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.31 11.52 82.04 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.4 t -111.28 -36.08 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 35.5 mt -79.82 173.53 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.335 0.588 . . . . 0.0 110.912 -176.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.4 p -98.06 168.68 10.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.992 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.9 -27.71 66.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.256 0.551 . . . . 0.0 109.939 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.56 -48.32 33.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.124 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.87 -44.04 97.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.749 -175.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.687 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 71.1 mtm -68.64 -28.11 66.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.922 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.62 -37.48 65.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.905 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.567 ' HB3' HG12 ' A' ' 77' ' ' VAL . 2.8 m-20 -61.43 -34.13 74.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.026 0.441 . . . . 0.0 110.482 176.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.422 ' O ' ' HG3' ' A' ' 43' ' ' MET . 82.5 mtp -65.12 -37.91 88.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.482 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.82 -42.6 96.96 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.479 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.2 ptp -75.82 -27.94 58.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.54 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.68 -28.68 51.17 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.635 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.64 74.71 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.336 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -59.71 -47.25 86.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.476 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -65.9 -28.69 69.13 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' MET . 71.7 t -62.07 -53.93 41.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.77 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.507 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.2 p-10 -68.0 -32.9 73.61 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.286 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -59.23 -52.53 65.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.979 0.419 . . . . 0.0 110.095 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -70.1 -42.94 72.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.518 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.716 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.6 tmm? -68.58 -39.59 80.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.01 -175.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.106 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.64 -11.99 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.281 175.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.475 ' HB3' ' O ' ' A' ' 51' ' ' MET . 41.7 ttp -69.51 -37.02 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.623 174.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 87.08 163.69 39.19 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.923 174.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -76.49 149.94 31.37 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.502 2.135 . . . . 0.0 111.931 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.531 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 45.6 m-80 61.36 53.21 2.67 Favored Pre-proline 0 N--CA 1.467 0.408 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.911 -177.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 10.1 Cg_endo -89.8 157.97 5.08 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.97 2.447 . . . . 0.0 113.01 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 14.8 Cg_exo -67.23 139.06 48.98 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.7 2.266 . . . . 0.0 110.999 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.24 -24.23 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -71.02 -19.65 62.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.462 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -75.69 -50.49 15.25 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.1 mp -58.55 -36.05 73.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.116 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -51.99 -51.55 56.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.658 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.48 -25.61 57.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.451 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -40.44 76.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -63.03 -50.52 70.32 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.6 m -60.45 -45.83 92.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.459 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.18 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.338 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.443 ' O ' HG23 ' A' ' 74' ' ' VAL . 15.0 tmm? -67.44 -46.87 71.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.972 0.415 . . . . 0.0 109.933 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.85 78.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.494 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.78 86.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.03 -29.06 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.972 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.653 ' O ' HG22 ' A' ' 77' ' ' VAL . 83.0 t -69.49 -40.47 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 171.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -58.44 -36.19 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 176.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -59.65 -41.19 89.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.339 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.4 m -71.83 -28.2 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.463 . . . . 0.0 109.878 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' VAL . 47.5 t -77.91 -26.9 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.983 0.421 . . . . 0.0 110.36 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -12.29 60.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.013 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 t -78.05 -7.71 57.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 110.199 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m -88.62 130.5 45.06 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.79 160.69 47.17 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.022 1.815 . . . . 0.0 110.523 170.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.61 -28.03 27.69 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.042 2.495 . . . . 0.0 113.463 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.85 -56.84 6.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.645 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.4 p -86.91 -7.05 58.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.09 -46.8 65.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.411 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -59.39 -38.86 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.327 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.42 -33.66 67.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.232 0.539 . . . . 0.0 110.443 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.63 -48.74 63.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.357 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 90' ' ' LEU . 0.8 OUTLIER -57.3 -49.7 75.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.226 -177.351 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -62.53 -31.66 72.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -68.79 -41.7 78.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.548 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.72 -49.58 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.09 -22.21 68.67 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.269 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.26 -52.52 7.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 110.708 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.52 -39.98 94.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.964 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 97' ' ' LEU . 2.5 tm? -65.44 -29.84 70.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.305 0.574 . . . . 0.0 109.917 -178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -71.57 -38.64 70.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.656 -178.708 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 9.8 pt-20 -82.36 -39.51 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.889 -174.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 34.3 p -61.87 -31.52 71.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.767 -176.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.422 ' HB3' ' O ' ' A' ' 107' ' ' SER . 61.5 mmm -56.45 -49.36 74.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 ptp -80.5 -28.23 37.52 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.056 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.13 -29.74 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.419 . . . . 0.0 110.618 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.47 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -69.12 -69.42 0.33 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.3 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 10.2 t 166.62 -25.38 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.258 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.2 1.75 59.04 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.392 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 101' ' ' MET . 36.2 m 63.49 172.78 0.16 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.08 0.467 . . . . 0.0 110.376 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -103.12 100.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.781 0.8 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.36 150.33 31.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.452 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -82.49 -34.75 27.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.254 -176.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.88 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.703 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.34 -58.42 7.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 117' ' ' MET . 17.5 p -55.16 -48.58 73.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.292 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -56.85 -50.32 72.79 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.927 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.32 -43.78 89.91 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.521 0.2 . . . . 0.0 110.888 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 120' ' ' VAL . 70.5 t -59.38 -49.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 113' ' ' THR . 68.1 mmm -56.46 -47.76 78.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -54.81 -49.43 71.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.3 mt -65.23 -44.26 88.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.566 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 116' ' ' VAL . 69.8 t -57.07 -43.33 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.448 . . . . 0.0 110.82 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -71.41 -43.35 66.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.121 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 49.3 ttp -73.78 -28.48 61.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.686 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.29 11.93 30.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.693 0.282 . . . . 0.0 111.105 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 p -117.61 -63.36 1.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.06 103.01 4.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.217 0.532 . . . . 0.0 111.064 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -81.82 58.02 3.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.763 0.792 . . . . 0.0 110.218 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.4 m -159.77 -23.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.635 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.88 98.6 3.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.506 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 75.53 -2.16 2.86 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.662 171.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.52 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -63.32 139.71 58.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.039 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 130' ' ' GLU . 2.3 p 53.9 16.73 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.294 1.037 . . . . 0.0 112.453 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.1 m -96.15 94.79 7.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.037 0.446 . . . . 0.0 110.386 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.288 178.609 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -138.32 107.68 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.891 0.377 . . . . 0.0 110.173 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.72 63.0 4.52 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.36 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -98.5 126.89 44.22 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.617 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 15.1 p -96.54 6.18 49.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.873 0.368 . . . . 0.0 111.212 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -105.85 84.58 1.29 Allowed Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.292 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.639 ' O ' HG22 ' A' ' 8' ' ' ILE . 67.5 Cg_endo -93.12 70.41 0.47 Allowed 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.885 2.39 . . . . 0.0 112.813 -174.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 7' ' ' PRO . 9.8 tt 67.38 -20.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.041 1.337 . . . . 0.0 113.767 172.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -82.78 14.76 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -40.96 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.221 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -145.25 140.67 16.25 Favored Pre-proline 0 N--CA 1.447 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.4 Cg_exo -41.53 -50.97 4.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 124.199 3.266 . . . . 0.0 114.277 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.33 -36.49 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.557 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.13 -48.92 64.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.214 0.53 . . . . 0.0 111.235 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.31 -42.66 59.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.64 -175.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.681 0.277 . . . . 0.0 111.047 -178.382 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.3 m -59.57 -51.21 70.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.24 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.488 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.49 -26.98 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.26 -177.365 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -69.11 -44.95 71.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -68.49 -40.8 80.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 6.4 m-20 -63.74 -30.11 71.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.134 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.74 -48.96 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.489 . . . . 0.0 109.813 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.03 -47.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.245 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 21.1 pt20 -65.68 -35.51 80.97 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.794 0.331 . . . . 0.0 110.824 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.5 t -67.21 -45.83 75.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.095 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -22.09 62.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.786 -177.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -74.01 -29.62 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -103.08 15.43 29.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.389 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.0 p -71.19 -48.82 49.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.463 0.649 . . . . 0.0 110.614 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.59 -3.25 59.2 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG13 HD12 ' A' ' 32' ' ' LEU . 3.8 p -105.43 -30.64 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.989 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD12 HG13 ' A' ' 31' ' ' VAL . 8.2 mp -76.28 140.99 41.79 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.6 p -73.96 168.61 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.52 -25.68 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.596 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.22 -56.43 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.497 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 40' ' ' MET . 80.1 mt-30 -53.52 -43.02 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.481 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.3 ptp -64.82 -30.37 71.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.711 0.291 . . . . 0.0 111.062 -177.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.06 -37.91 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.078 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.1 m-20 -65.17 -25.69 67.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 82.7 mmm -59.24 -30.1 68.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.76 -49.25 56.49 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.623 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.1 ptp -65.8 -28.52 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.928 0.394 . . . . 0.0 110.611 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.9 ttp -65.99 -46.27 78.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.983 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.97 78.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.73 -45.1 91.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.619 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -37.56 83.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.53 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 43' ' ' MET . 87.7 t -61.51 -51.2 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.336 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.624 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 25.0 p30 -69.38 -26.15 64.52 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.107 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 t -62.38 -53.26 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.723 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.4 tmm? -70.9 -44.59 65.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.847 -177.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -68.29 -37.15 80.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -81.45 3.4 24.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.689 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 43.0 ttm -68.58 -37.62 80.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 149.86 17.09 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.593 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.11 140.21 82.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.59 2.194 . . . . 0.0 111.546 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 62.37 78.93 0.28 Allowed Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 109.891 -173.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.689 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.8 Cg_exo -65.76 121.67 9.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.411 2.741 . . . . 0.0 113.459 -174.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -82.96 149.87 13.88 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.51 2.14 . . . . 0.0 111.786 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.62 -26.67 68.74 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -64.58 -22.89 67.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.999 0.428 . . . . 0.0 110.449 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 66' ' ' MET . 25.8 mmt180 -82.37 -45.54 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.674 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 58' ' ' PRO . 7.9 mp -57.04 -47.4 81.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.19 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 64' ' ' ARG . 35.0 mtt180 -68.87 -4.66 17.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.976 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.22 -6.33 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.678 0.275 . . . . 0.0 110.934 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.5 mmm -88.38 -36.44 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.769 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -44.98 84.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.877 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -77.32 -29.15 53.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.891 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.51 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.461 ' O ' HG23 ' A' ' 74' ' ' VAL . 36.4 ttm -58.96 -45.09 91.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.861 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.42 -46.09 62.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.968 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.433 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -73.49 -41.14 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.945 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 70' ' ' MET . 55.6 t -66.42 -31.6 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.098 0.475 . . . . 0.0 109.813 175.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.09 76.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.338 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -57.71 -55.42 35.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.443 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.0 -29.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.484 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.7 t -80.69 -29.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.812 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.47 -23.16 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 m -88.41 11.99 15.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.12 0.486 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -89.67 134.31 32.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.104 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.55 152.76 53.04 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 122.523 2.149 . . . . 0.0 111.749 172.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.71 -51.14 10.25 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.275 2.65 . . . . 0.0 113.851 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -77.44 -4.22 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 111.535 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 89' ' ' VAL . 16.4 m -101.05 -32.22 10.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.821 0.343 . . . . 0.0 110.248 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CE2' HG12 ' A' ' 78' ' ' VAL . 58.1 t80 -52.1 -52.29 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.336 -174.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -62.44 -32.72 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.928 0.394 . . . . 0.0 111.731 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.31 -37.03 61.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.494 . . . . 0.0 109.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 93' ' ' ILE . 98.0 t -69.35 -36.75 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.812 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.451 ' HG ' ' CE ' ' A' ' 121' ' ' LYS . 3.4 tt -55.4 -53.08 60.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.441 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -66.77 -40.28 88.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.128 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.0 m -61.07 -51.63 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.4 mm -57.98 -48.05 85.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.696 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.81 -42.68 98.18 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.709 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.58 69.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.13 -42.81 95.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.671 HD12 HG23 ' A' ' 113' ' ' THR . 1.4 tm? -63.04 -43.85 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -52.86 -57.17 11.12 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.348 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.51 -53.01 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.697 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 m -50.89 -40.29 56.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.125 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.3 mmm -59.63 -49.71 76.69 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.943 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -31.11 61.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.91 -23.21 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.835 177.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -70.67 -69.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.153 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.6 t 176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.06 31.38 4.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.203 -173.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p 51.66 -171.55 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.506 0.723 . . . . 0.0 111.627 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -107.98 102.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-O 121.788 0.804 . . . . 0.0 110.135 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.73 161.06 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.239 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -111.27 -4.02 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.93 -59.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.584 0.231 . . . . 0.0 111.18 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -56.1 -53.87 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.193 0.52 . . . . 0.0 110.039 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.671 HG23 HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -58.37 -24.18 59.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.607 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -85.74 -49.76 7.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.417 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.81 -42.62 85.58 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 116.925 -0.125 . . . . 0.0 111.195 -177.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.653 ' O ' HG23 ' A' ' 120' ' ' VAL . 8.6 p -60.57 -39.53 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 1.2 mmt -60.51 -49.86 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.54 -44.71 89.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.851 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.79 -44.68 96.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.6 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 116' ' ' VAL . 84.7 t -53.37 -51.94 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.547 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.451 ' CE ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.47 -49.86 73.4 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.557 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 48.4 ttp -66.77 -29.9 69.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.924 0.392 . . . . 0.0 111.779 -175.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.61 1.03 56.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.0 p -124.11 -31.4 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.923 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.93 87.5 2.89 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -89.82 64.86 6.56 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.051 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.5 m 62.19 16.12 8.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.58 -176.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.36 92.12 2.77 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.194 0.521 . . . . 0.0 110.755 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -144.68 -58.03 0.36 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -75.32 127.06 32.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.72 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 45.8 t -74.41 90.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.22 0.533 . . . . 0.0 109.936 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.7 t -131.99 87.67 2.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.282 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.204 178.7 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -96.45 117.26 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -121.47 97.55 0.62 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.51 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.29 -24.77 64.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.357 0.599 . . . . 0.0 110.101 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 p -121.16 157.64 29.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.642 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 66.7 92.4 0.06 OUTLIER Pre-proline 0 CA--C 1.53 0.208 0 O-C-N 123.704 0.628 . . . . 0.0 110.306 -174.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.89 -169.13 0.73 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.964 2.443 . . . . 0.0 112.9 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.579 HD13 ' SD ' ' A' ' 18' ' ' MET . 15.9 tt -69.59 -4.36 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.263 -174.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.479 ' HB2' HD12 ' A' ' 63' ' ' LEU . 91.7 m95 -77.13 23.67 0.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.985 -0.447 . . . . 0.0 111.096 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.76 -43.07 60.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -175.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -132.14 130.14 21.94 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.559 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.749 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.9 Cg_exo -40.79 -53.03 3.01 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 124.54 3.494 . . . . 0.0 114.73 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -56.92 -38.56 73.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.342 . . . . 0.0 111.51 -175.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.58 65.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.09 0.471 . . . . 0.0 111.098 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.73 74.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.116 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.637 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.46 -38.41 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.28 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 m -59.11 -41.17 87.54 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.622 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.579 ' SD ' HD13 ' A' ' 8' ' ' ILE . 27.7 mtm -58.09 -48.48 80.04 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.589 0.709 . . . . 0.0 109.795 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -51.42 -56.7 11.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.881 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.88 -20.89 61.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 11.9 m-80 -70.35 -35.96 73.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.05 0.452 . . . . 0.0 110.248 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.95 -42.13 94.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.62 -46.58 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.097 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -68.86 -25.92 64.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.654 -177.157 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.22 -44.97 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.526 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -25.88 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 p -69.65 -41.08 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.561 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -105.26 18.64 21.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.998 0.428 . . . . 0.0 111.331 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -53.25 52.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.031 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.83 -4.77 32.32 Favored Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.583 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' CG1' HD12 ' A' ' 32' ' ' LEU . 5.5 p -101.9 -31.11 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.696 0.284 . . . . 0.0 111.19 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 HD12 ' CG1' ' A' ' 31' ' ' VAL . 6.6 mp -80.47 167.53 20.04 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -103.55 163.87 12.02 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.786 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 37' ' ' MET . . . -56.08 -36.19 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.105 0.479 . . . . 0.0 110.505 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -87.95 23.55 2.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.78 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG3' HG22 ' A' ' 77' ' ' VAL . 62.9 tt0 -134.91 -38.78 0.79 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.318 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.9 ptp -75.38 -25.25 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.196 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -72.34 -37.55 68.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 110.558 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.14 -25.56 66.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.563 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.452 ' HB2' ' O ' ' A' ' 37' ' ' MET . 71.5 mmm -59.66 -33.59 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.441 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -48.99 75.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptp -76.72 -18.25 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.797 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . 13.0 tmm? -62.99 -43.99 97.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.21 -42.68 99.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.546 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t -68.12 -29.45 68.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.572 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 43' ' ' MET . 58.4 t -65.01 -54.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.644 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -66.52 -25.35 66.64 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.982 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.9 m -63.56 -55.69 21.85 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 120.827 0.346 . . . . 0.0 110.516 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -69.87 -33.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.435 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.749 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 3.0 tmm? -68.14 -53.42 25.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.893 -174.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -66.48 -32.84 74.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.734 0.302 . . . . 0.0 111.203 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -67.05 -8.33 29.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.52 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.8 mtm -69.92 -34.53 73.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.794 0.331 . . . . 0.0 110.36 173.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.19 167.94 13.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.419 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.2 -14.66 25.75 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.982 2.455 . . . . 0.0 112.193 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.57 75.69 16.32 Favored Pre-proline 0 C--N 1.313 -1.008 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.159 -177.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HG2' HD11 ' A' ' 63' ' ' LEU . 73.8 Cg_endo -78.23 128.51 9.01 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.757 2.304 . . . . 0.0 112.826 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' HD22 ' A' ' 63' ' ' LEU . 60.0 Cg_endo -74.98 167.98 25.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.417 2.078 . . . . 0.0 111.651 175.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -56.41 -35.85 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -68.1 -12.25 60.53 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -92.84 -49.96 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.856 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -57.25 -46.86 82.62 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.325 -176.77 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 5.5 ptt180 -63.86 -34.74 78.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.065 -175.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.509 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -80.32 -26.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.989 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 tpt -68.13 -30.92 70.18 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -60.21 -47.17 87.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.0 m -59.14 -37.7 77.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.703 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.35 54.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.1 ttp -67.86 -40.02 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.072 0.463 . . . . 0.0 110.246 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.54 79.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.926 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 76' ' ' GLU . . . -70.09 -43.46 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.704 0.288 . . . . 0.0 110.596 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.5 -40.29 78.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.268 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 78' ' ' VAL . 28.5 m -82.87 -30.68 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.321 178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 16.3 mm-40 -59.32 -41.88 90.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.296 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 74' ' ' VAL . 6.3 p -81.77 -27.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.803 -177.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 74' ' ' VAL . 77.1 t -70.81 -32.43 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 176.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -10.74 39.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.816 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -75.26 -18.14 60.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.16 0.505 . . . . 0.0 110.589 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -76.04 123.81 88.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.84 150.8 81.37 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.61 2.207 . . . . 0.0 111.215 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.44 -35.66 36.81 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.188 2.592 . . . . 0.0 113.243 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.62 -26.67 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.911 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 m -116.67 -3.29 11.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.232 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -59.67 -50.66 72.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.464 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 m -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.96 -37.98 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.57 . . . . 0.0 110.288 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.2 t -72.25 -45.47 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.265 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -47.03 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.797 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.11 -36.29 74.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.7 m -67.82 -43.51 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.513 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.8 mm -59.2 -46.69 91.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.509 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.75 -39.18 97.64 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 113.013 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.52 -47.47 60.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.786 0.327 . . . . 0.0 111.011 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.7 m -63.55 -37.21 86.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -36.74 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.498 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 10.2 mmt180 -59.48 -56.8 17.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.641 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.05 -37.37 81.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.806 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.2 m -54.42 -35.85 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.464 ' SD ' ' HD2' ' A' ' 112' ' ' PHE . 48.0 mtp -69.19 -49.13 59.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.765 0.317 . . . . 0.0 111.582 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.5 ptm -74.96 -26.28 59.48 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.537 -174.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.94 -20.06 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.405 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.55 -66.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.422 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t 177.19 -33.04 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.55 27.42 8.71 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.415 -0.898 . . . . 0.0 114.118 -169.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.8 p 48.86 -164.72 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.98 0.512 . . . . 0.0 111.987 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.02 92.52 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.9 155.33 38.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.809 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -92.08 -5.97 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.499 -174.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -110.6 -53.71 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.265 -0.272 . . . . 0.0 111.539 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HD2' ' SD ' ' A' ' 101' ' ' MET . 84.2 t80 -56.21 -50.29 71.67 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.079 0.237 . . . . 0.0 111.273 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.448 HG23 ' SD ' ' A' ' 101' ' ' MET . 35.7 p -57.21 -42.5 81.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.289 0.566 . . . . 0.0 110.589 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.7 -49.23 77.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.378 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 42.2 mm-40 -57.09 -51.32 69.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.52 -46.9 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.977 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.1 mmt -57.74 -48.33 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.211 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -61.17 -51.36 69.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 110.628 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.52 -47.86 68.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.551 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.39 -41.05 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.106 0.412 . . . . 0.0 111.094 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -69.48 -46.2 67.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -77.89 -28.43 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.209 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.22 -9.24 59.57 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.293 -0.255 . . . . 0.0 111.38 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -64.98 1.11 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.894 0.378 . . . . 0.0 110.156 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -164.59 116.22 1.25 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.122 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.84 19.69 4.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.166 0.984 . . . . 0.0 108.68 173.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 m -92.27 23.15 4.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.332 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.15 75.52 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.179 0.514 . . . . 0.0 111.495 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -122.28 131.02 53.71 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.634 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.2 pm0 -72.62 146.08 46.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.848 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.47 HG22 ' H ' ' A' ' 133' ' ' THR . 14.4 p -97.93 132.92 41.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.131 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.8 m -101.53 19.15 18.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.507 -174.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.47 ' H ' HG22 ' A' ' 131' ' ' VAL . 5.6 t . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.565 -0.731 . . . . 0.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.909 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m -69.5 -49.04 58.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.178 0.513 . . . . 0.0 110.374 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.3 94.11 1.69 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -94.56 155.41 16.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.709 0.29 . . . . 0.0 110.62 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.452 ' O ' HD11 ' A' ' 63' ' ' LEU . 32.1 t -82.01 3.52 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.096 0.474 . . . . 0.0 110.79 -177.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -159.88 93.27 1.7 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -69.67 -70.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.291 1.994 . . . . 0.0 112.328 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.545 HD13 ' SD ' ' A' ' 18' ' ' MET . 19.6 tt -120.03 -13.6 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.392 0.615 . . . . 0.0 110.162 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -82.82 49.6 1.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.561 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.5 p -87.36 -43.75 11.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.866 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -151.68 148.9 22.76 Favored Pre-proline 0 N--CA 1.446 -0.651 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.997 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.849 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 96.0 Cg_exo -41.63 -54.38 2.8 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 124.048 3.166 . . . . 0.0 114.061 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -59.45 -36.35 75.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.349 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -52.33 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 111.594 -176.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -78.72 -36.57 43.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.528 -173.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.498 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.6 OUTLIER -63.19 -30.56 71.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.739 179.668 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.564 HG21 ' HA ' ' A' ' 104' ' ' ALA . 54.5 m -57.44 -54.32 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.367 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.545 ' SD ' HD13 ' A' ' 8' ' ' ILE . 25.3 ptt? -65.09 -36.38 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.68 -177.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -63.9 -44.42 93.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.996 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -70.08 -40.93 74.7 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.167 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.0 m-20 -65.54 -30.12 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.128 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.88 -46.23 90.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.147 0.499 . . . . 0.0 109.914 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.5 t -64.1 -48.44 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.473 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.85 -26.65 67.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.059 -175.145 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.57 -50.85 11.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.993 0.425 . . . . 0.0 110.314 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.48 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.175 -174.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -66.15 -27.53 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 111.304 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -109.09 22.22 16.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 -177.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 p -72.37 -37.15 68.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.12 3.57 75.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -173.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -103.36 -44.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.98 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD22 ' OE1' ' A' ' 36' ' ' GLN . 31.6 mt -77.69 -178.68 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.06 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' H ' ' A' ' 36' ' ' GLN . 9.1 t -117.1 166.81 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.023 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -30.59 65.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.486 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.35 -49.71 39.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.492 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 40' ' ' MET . 78.7 mt-30 -60.85 -45.39 94.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.693 -176.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 ptp -64.58 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.12 -38.4 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -66.36 -28.38 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.49 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.6 mtp -65.87 -27.83 68.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.428 . . . . 0.0 110.036 174.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.75 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.873 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ptp -76.53 -23.89 53.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.04 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.4 tmm? -63.92 -44.5 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 172.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.31 73.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.525 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.53 -32.51 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.257 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 t -69.55 -34.56 74.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 43' ' ' MET . 47.7 t -67.78 -57.3 9.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.25 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -66.99 -24.79 66.07 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.716 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -66.24 -47.98 72.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -80.39 -36.76 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.844 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.849 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.0 tmm? -61.52 -47.66 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.631 0.373 . . . . 0.0 111.876 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -68.17 -29.1 67.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -94.27 9.18 39.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.55 -178.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.0 ttm -78.35 -24.74 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.11 131.15 7.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.978 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.58 123.86 13.52 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.349 2.033 . . . . 0.0 110.695 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 63.08 71.74 0.63 Allowed Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -168.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.47 164.95 33.73 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 123.343 2.696 . . . . 0.0 113.869 -170.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.73 145.0 50.36 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.117 2.545 . . . . 0.0 112.132 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.09 -42.62 81.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.953 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -67.91 -18.14 64.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.337 . . . . 0.0 111.409 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.36 -23.01 35.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.596 0.236 . . . . 0.0 111.146 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.452 HD11 ' O ' ' A' ' 5' ' ' SER . 59.9 mt -66.69 -51.71 52.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.856 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.31 -25.39 34.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.971 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.19 -25.67 27.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.424 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.6 tpp -78.3 -44.72 24.59 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -173.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.434 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -59.98 -32.4 70.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.566 176.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.547 HG23 ' CD2' ' A' ' 119' ' ' LEU . 25.1 m -74.22 -44.65 52.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.132 0.492 . . . . 0.0 110.259 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.32 80.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.107 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 74' ' ' VAL . 39.4 ttp -66.84 -38.56 86.62 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 116' ' ' VAL . . . -53.87 -46.97 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.969 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.5 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.299 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -69.51 -43.1 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.167 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 77' ' ' VAL . 39.9 t -70.72 -25.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.66 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -66.3 -29.48 69.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.173 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 74' ' ' VAL . 8.7 m -82.9 -30.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.069 0.461 . . . . 0.0 110.55 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.541 HG21 ' HZ2' ' A' ' 121' ' ' LYS . 48.2 t -76.1 -21.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.457 0.646 . . . . 0.0 109.994 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.43 -11.56 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.393 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -107.39 23.25 14.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.038 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.5 m -100.98 133.54 20.97 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -64.15 131.31 30.0 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.497 2.131 . . . . 0.0 111.599 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -46.09 -38.17 18.82 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.557 2.838 . . . . 0.0 113.916 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -67.77 -18.03 64.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.853 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 m -124.01 12.68 9.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.04 0.448 . . . . 0.0 110.904 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.02 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -61.83 -30.2 70.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.48 . . . . 0.0 111.495 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.08 -37.34 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.293 0.568 . . . . 0.0 109.924 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 93' ' ' ILE . 89.4 t -70.17 -36.13 66.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.928 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.572 HD22 ' HE2' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -53.18 -56.69 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.72 175.696 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -68.3 -40.33 81.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.104 -175.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.8 -40.45 79.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.221 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 89' ' ' VAL . 31.6 mm -63.25 -53.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.43 -23.31 75.13 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.032 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.56 -52.66 10.11 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.889 -0.183 . . . . 0.0 111.364 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.98 -32.58 67.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.896 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.31 -40.65 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.469 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 98' ' ' ARG . 17.9 ptt-85 -68.01 -45.13 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.545 -175.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.32 -43.39 77.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.257 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 57.5 p -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.684 0.278 . . . . 0.0 111.059 -177.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.0 ttt -62.14 -43.84 97.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.241 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.32 46.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 120.869 0.366 . . . . 0.0 110.387 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.16 -4.78 23.09 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.466 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 17' ' ' THR . . . -76.05 -70.41 0.44 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.785 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.5 t 176.08 -40.59 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.561 ' O ' ' HB2' ' A' ' 107' ' ' SER . . . -67.9 -74.24 0.6 Allowed Glycine 0 C--N 1.333 0.417 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.288 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 9.0 t 162.85 179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.45 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 3.6 p -107.68 99.35 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.847 0.832 . . . . 0.0 109.697 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.1 140.35 47.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.878 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 114' ' ' ASN . 7.7 p30 -86.05 -9.01 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -172.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.21 -42.15 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.102 0.477 . . . . 0.0 109.856 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 74.0 t80 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.23 176.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 117' ' ' MET . 63.8 p -66.26 -15.72 63.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 110' ' ' ASN . 53.9 t-20 -75.76 -66.22 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.853 178.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.27 -50.87 70.12 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.953 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 120' ' ' VAL . 9.5 p -58.84 -38.82 75.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.848 -175.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.579 ' HB2' ' O ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -57.3 -53.92 52.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -68.59 -45.49 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.547 ' CD2' HG23 ' A' ' 68' ' ' THR . 9.8 mp -63.24 -34.56 77.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 116' ' ' VAL . 43.8 t -60.98 -22.4 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.201 0.524 . . . . 0.0 110.564 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.572 ' HE2' HD22 ' A' ' 90' ' ' LEU . 14.8 mmmt -95.37 -51.1 4.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 0.0 110.096 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 55.9 ttp -60.65 -43.4 97.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.75 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.2 mt -79.31 0.86 27.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.134 0.492 . . . . 0.0 110.493 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -104.56 -64.45 1.11 Allowed 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -175.91 112.33 0.11 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.279 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -101.39 11.48 39.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.143 0.973 . . . . 0.0 109.034 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.7 m -88.97 14.62 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.288 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.96 84.03 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.305 -175.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -119.66 132.31 55.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.475 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.79 148.24 47.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.275 -178.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.0 p 44.9 41.0 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 O-C-N 124.391 1.057 . . . . 0.0 111.504 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.2 m -75.12 80.07 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.231 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.162 179.416 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m 72.39 -49.72 0.69 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.581 0.752 . . . . 0.0 112.562 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -156.97 138.93 6.14 Favored Glycine 0 CA--C 1.511 -0.177 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.385 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -157.2 156.64 32.94 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -75.06 -6.37 49.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.385 0.612 . . . . 0.0 110.946 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -124.65 81.74 60.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.113 173.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -74.36 -80.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.521 2.147 . . . . 0.0 113.253 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 tp -119.0 -33.85 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.715 0.293 . . . . 0.0 111.279 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.501 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 71.7 m95 -81.46 64.99 6.4 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -120.38 -35.3 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.522 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -137.62 124.71 13.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.06 -176.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.711 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 93.1 Cg_exo -44.12 -43.72 12.74 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.658 2.905 . . . . 0.0 113.726 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -80.45 7.82 8.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.439 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.8 -40.46 3.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.474 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.43 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -59.89 -30.32 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 104' ' ' ALA . 37.4 m -56.72 -55.94 27.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.386 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -29.05 67.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.15 -176.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -66.03 -50.1 65.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 111.131 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -72.73 -32.9 66.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.562 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 10.2 m120 -65.25 -32.77 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.411 . . . . 0.0 110.275 176.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -45.74 91.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.02 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.32 -47.33 93.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 17.9 pt20 -70.45 -31.36 68.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.866 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.36 -45.77 68.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.183 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -67.05 -24.77 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.805 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.634 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 8.4 t -73.91 -10.76 59.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.48 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -115.13 20.18 15.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.1 p -81.51 -42.91 19.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 111.213 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.26 80.43 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.27 -45.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.101 -0.55 . . . . 0.0 110.186 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 26' ' ' ALA . 9.4 mp -73.38 139.48 45.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.474 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -82.75 169.53 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.607 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -30.22 66.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.938 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -90.17 0.42 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.406 -174.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.634 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 74.2 mtm -108.78 -0.62 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.723 173.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.5 -43.16 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -68.4 -32.97 73.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.147 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.419 ' SD ' HG21 ' A' ' 77' ' ' VAL . 57.3 mmm -60.89 -36.68 79.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.438 . . . . 0.0 110.576 172.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.66 -50.01 56.59 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.08 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -71.04 -20.9 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.42 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.5 tmm? -67.6 -45.35 75.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.57 76.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.99 0.424 . . . . 0.0 110.562 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -17.78 64.91 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.607 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 t -92.66 -32.5 14.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.238 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 43' ' ' MET . 57.3 t -62.85 -49.35 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.039 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.434 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 13.9 p30 -68.43 -27.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.267 -0.173 . . . . 0.0 111.118 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.6 t -59.28 -42.17 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 110.091 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -81.28 -36.42 29.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.021 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.711 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 17.5 tmm? -70.12 -33.65 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.471 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.1 -25.0 61.57 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.547 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -81.57 -5.21 57.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.271 175.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.505 ' HB3' ' O ' ' A' ' 51' ' ' MET . 46.3 ttm -81.87 -57.12 3.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.872 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.45 164.32 30.67 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.821 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.28 134.3 12.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.744 2.296 . . . . 0.0 112.071 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 57.57 60.7 6.46 Favored Pre-proline 0 N--CA 1.469 0.495 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.078 -173.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -86.89 170.59 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.031 2.487 . . . . 0.0 113.236 -171.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.6 136.28 21.07 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.192 1.928 . . . . 0.0 111.449 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -64.54 -16.63 62.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -68.02 -21.47 65.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.21 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 66' ' ' MET . 23.8 mmt85 -78.53 -37.57 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.503 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 64' ' ' ARG . 5.4 mpt_? -57.63 -37.72 73.79 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.79 -32.92 62.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.731 0.301 . . . . 0.0 111.516 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.485 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 93.3 mmm -67.58 -30.66 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.486 HD21 ' HD1' ' A' ' 112' ' ' PHE . 11.6 m120 -58.61 -51.28 70.57 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 119' ' ' LEU . 83.0 m -67.22 -44.02 80.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.09 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.54 80.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.797 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.438 ' O ' HG23 ' A' ' 74' ' ' VAL . 41.0 ttp -68.0 -41.69 81.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.165 -176.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.76 71.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 76' ' ' GLU . . . -62.41 -45.23 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 177.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.16 -31.09 67.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 77' ' ' VAL . 84.3 t -68.46 -39.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 0.0 110.081 173.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -60.75 -30.4 69.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.999 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 10.4 mm-40 -59.76 -43.99 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.305 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 74' ' ' VAL . 5.1 m -75.84 -21.39 15.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.233 0.539 . . . . 0.0 110.477 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 74' ' ' VAL . 52.6 t -80.16 -33.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -18.93 65.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.2 m -75.79 -11.91 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.203 0.525 . . . . 0.0 110.675 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 m -86.16 131.57 46.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -63.21 147.79 93.65 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.543 2.162 . . . . 0.0 111.11 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.93 -34.11 36.08 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.216 2.61 . . . . 0.0 113.29 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.83 -39.64 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 111.615 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m -98.13 -5.03 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.11 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.85 -47.17 74.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.429 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -58.98 -35.75 73.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.479 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.52 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 0.0 110.324 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 93' ' ' ILE . 84.6 t -72.46 -45.58 59.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.327 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 90' ' ' LEU . 1.4 tm? -57.88 -48.29 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.12 -177.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.68 -36.35 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.033 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.3 m -65.07 -41.21 95.29 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.756 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.5 mm -55.76 -53.94 31.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.226 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.13 92.74 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.65 85.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 0.0 111.278 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 88.0 m -75.2 -30.23 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 1.7 tm? -64.3 -50.13 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.411 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -59.67 -45.68 91.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.727 -176.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -59.7 -57.99 10.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.053 0.454 . . . . 0.0 111.054 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 m -50.9 -42.79 59.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.897 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 45.1 mmm -54.73 -53.38 55.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.908 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.1 ptm -78.1 -31.13 49.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.492 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.4 -20.18 66.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.542 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -67.67 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 165.02 -26.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.34 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.97 23.36 26.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.492 -172.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.9 p 52.75 -175.54 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.265 0.626 . . . . 0.0 111.722 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.0 p -110.69 99.15 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 121.686 0.755 . . . . 0.0 110.31 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.86 148.99 43.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.606 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.63 -44.58 49.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.383 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.88 83.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.667 0.27 . . . . 0.0 111.019 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.486 ' HD1' HD21 ' A' ' 67' ' ' ASN . 54.5 t80 -59.66 -45.97 90.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.254 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.1 p -64.49 -37.51 87.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.65 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -70.55 -37.89 74.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.538 0.209 . . . . 0.0 110.773 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -55.91 -55.22 35.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.895 173.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.83 -49.34 81.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.287 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.4 mmt -74.46 -1.73 22.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -175.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -108.1 -50.58 3.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.452 HD13 ' CE ' ' A' ' 122' ' ' MET . 3.2 mm? -63.87 -41.21 97.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -177.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 54.0 t -63.43 -33.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -79.71 -46.68 16.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.053 0.454 . . . . 0.0 110.273 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.452 ' CE ' HD13 ' A' ' 119' ' ' LEU . 52.8 ttp -64.17 -36.1 82.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.382 -176.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.404 HD11 HD12 ' A' ' 119' ' ' LEU . 95.3 mt -89.92 10.11 25.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.665 0.269 . . . . 0.0 111.536 -176.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.8 p -124.67 -62.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . 177.1 100.07 0.02 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.66 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -85.57 63.23 7.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.1 0.952 . . . . 0.0 109.924 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.6 m -113.94 -0.02 14.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.077 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.03 82.53 8.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.222 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -104.74 131.74 51.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.715 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.514 ' H ' ' CD ' ' A' ' 130' ' ' GLU . 1.1 pm0 -78.26 71.38 4.73 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.686 0.755 . . . . 0.0 110.57 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.42 127.46 57.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.248 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.9 m -92.8 -15.29 26.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.695 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 51.5 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.624 179.727 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -156.16 146.73 21.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.667 0.27 . . . . 0.0 110.407 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -118.38 -85.47 1.03 Allowed Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -70.89 106.72 3.72 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.51 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 4.0 p -80.16 150.65 30.11 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -170.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -98.52 85.45 0.41 Allowed Pre-proline 0 N--CA 1.444 -0.749 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 166.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 5' ' ' SER . 27.0 Cg_endo -64.46 -80.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.204 2.603 . . . . 0.0 114.799 -164.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.662 HG12 ' SD ' ' A' ' 18' ' ' MET . 8.6 tp -146.68 -27.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -168.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.495 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . 94.8 m95 -76.99 30.1 0.13 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.124 -0.36 . . . . 0.0 110.928 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.427 ' H ' ' C ' ' A' ' 8' ' ' ILE . 1.6 m -79.81 -43.34 22.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.329 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -147.67 152.6 41.68 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.387 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.03 -52.8 5.93 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.923 3.082 . . . . 0.0 113.654 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.2 7.15 2.94 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.562 0.696 . . . . 0.0 111.288 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.77 -56.59 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.196 0.522 . . . . 0.0 110.006 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -66.62 -46.0 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.041 -175.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.644 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -65.41 -43.66 89.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.398 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -53.02 -48.98 67.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.033 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.662 ' SD ' HG12 ' A' ' 8' ' ' ILE . 13.7 ptt? -64.58 -34.49 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.374 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.477 ' N ' ' HG3' ' A' ' 18' ' ' MET . 43.6 m -62.35 -53.63 52.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.842 -176.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -74.83 -25.63 59.14 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.644 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 55.0 m-20 -66.62 -33.92 76.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.212 0.529 . . . . 0.0 110.094 173.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.2 -38.8 91.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.59 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 44' ' ' ALA . 87.8 t -67.43 -47.12 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.911 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.82 -34.03 77.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 -177.675 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -72.13 -41.92 66.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.358 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.15 69.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -68.31 -41.9 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.55 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -102.0 25.6 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.119 0.485 . . . . 0.0 110.21 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 p -74.07 -42.1 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.844 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.42 4.81 59.38 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -173.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.25 -61.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.519 -0.341 . . . . 0.0 110.418 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.11 148.66 47.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.5 p -87.75 168.88 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.707 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.19 -30.05 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.169 0.509 . . . . 0.0 110.458 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -53.89 12.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.669 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -64.79 -35.39 80.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.698 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 ptp -71.69 -19.64 62.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.217 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.82 -34.03 57.93 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.051 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -63.62 -34.69 78.38 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.62 -40.59 88.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.483 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.56 -39.98 97.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.037 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtm -68.09 -37.05 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.427 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.2 tmm? -61.5 -48.61 80.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.141 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.81 -40.61 95.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.702 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 23.3 t -67.94 -40.65 83.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.338 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 43' ' ' MET . 86.4 t -58.26 -47.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.376 -175.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.644 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 1.6 p-10 -67.38 -31.78 72.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.384 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -67.67 -46.85 71.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 46' ' ' SER . 75.4 mt-30 -62.13 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.916 179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.36 -45.98 90.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.37 -29.04 63.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.228 -177.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -78.16 -21.05 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.444 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.711 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 53.4 ttp -70.37 -30.95 68.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 170.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 121.89 150.5 8.26 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.52 173.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.76 18.12 0.64 Allowed 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.026 2.484 . . . . 0.0 111.617 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 55' ' ' GLY . 1.4 t30 -166.7 69.09 1.04 Allowed Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 114.64 -1.164 . . . . 0.0 107.868 -177.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.409 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 16.7 Cg_exo -68.89 139.44 43.32 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.516 2.81 . . . . 0.0 113.805 -170.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -67.86 143.57 61.51 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.125 1.883 . . . . 0.0 110.906 171.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -53.48 -37.45 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -69.64 -20.23 63.6 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.545 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.711 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 15.1 mmt180 -74.57 -32.86 62.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.885 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.495 ' HG ' ' HB2' ' A' ' 9' ' ' TRP . 9.1 mp -63.01 -34.13 76.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 178.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.589 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.3 mpt_? -86.64 4.32 40.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.566 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.64 -15.26 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.595 173.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 86.6 mmm -89.59 -19.82 24.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.121 0.486 . . . . 0.0 110.703 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -55.24 -56.29 21.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -64.69 -37.2 86.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.27 8.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.218 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.452 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.0 tmm? -67.85 -45.87 73.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.214 -178.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.75 67.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.591 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.09 -48.53 73.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.315 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.03 -26.1 63.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.142 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 70' ' ' MET . 93.8 t -74.75 -44.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 109.925 172.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -59.52 -30.56 68.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.439 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.04 -38.66 79.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.228 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.76 -33.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 74' ' ' VAL . 15.8 t -80.51 -16.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.143 -177.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.35 29.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.968 0.414 . . . . 0.0 111.785 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 m -101.09 5.08 42.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.37 0.605 . . . . 0.0 110.382 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 m -100.75 117.45 62.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HG3' ' HA ' ' A' ' 131' ' ' VAL . 39.0 Cg_exo -61.35 146.6 97.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.848 2.365 . . . . 0.0 111.798 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -40.41 -44.87 4.34 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.127 3.218 . . . . 0.0 114.291 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -53.59 -51.1 64.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.275 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -89.08 -22.76 22.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.617 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' OH ' ' HA ' ' A' ' 121' ' ' LYS . 61.7 t80 -52.99 -45.15 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.219 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.24 -31.89 70.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.478 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.47 -37.15 57.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.12 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.3 t -69.31 -45.85 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.036 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -48.34 81.99 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.894 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.25 -37.73 81.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.843 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.8 m -61.35 -47.84 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.486 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.2 mm -57.32 -51.95 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.299 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.35 99.58 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.797 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.665 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -67.68 -53.53 26.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.669 0.271 . . . . 0.0 110.981 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.57 -37.74 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.122 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.17 -46.27 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.949 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 29.2 ptt180 -62.44 -37.74 87.05 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.273 0.558 . . . . 0.0 110.542 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.5 mm-40 -68.59 -49.6 58.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.764 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 70.2 m -54.14 -41.64 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -175.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.51 ' SD ' ' HA ' ' A' ' 108' ' ' VAL . 1.7 ptp -67.75 -38.76 83.91 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.686 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 14.2 ptm -76.85 -26.08 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.175 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.13 -21.99 60.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.117 0.484 . . . . 0.0 110.48 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.582 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.88 -62.58 1.65 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.166 175.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 164.68 -18.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.929 -177.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.99 0.56 66.12 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.648 -173.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m 62.34 -164.12 0.25 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -176.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 19.1 t -108.3 101.72 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.24 125.24 34.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.761 177.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -82.5 -1.53 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.55 -49.95 4.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -48.67 80.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 p -58.4 -44.19 88.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.324 0.583 . . . . 0.0 110.608 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -66.5 -38.01 86.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.647 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.59 -52.32 46.7 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 123.019 0.528 . . . . 0.0 110.731 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.6 t -61.69 -41.94 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -51.65 66.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 122.597 0.359 . . . . 0.0 111.26 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.83 -49.08 76.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.479 -177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.4 t -59.89 -46.34 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 110.576 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 57.3 mtpt -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.455 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.3 ttp -75.28 -39.21 59.91 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.264 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.5 mt -87.12 5.62 36.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.812 0.339 . . . . 0.0 111.249 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -110.7 -61.01 1.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.031 0.443 . . . . 0.0 110.891 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -83.21 93.23 7.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.886 0.851 . . . . 0.0 111.212 -174.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -138.12 90.5 2.48 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.139 -1.391 . . . . 0.0 108.839 174.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.1 t 70.71 6.62 5.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.725 -177.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.94 93.66 2.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.048 0.451 . . . . 0.0 110.372 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -125.16 -13.8 6.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.04 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -78.54 152.13 32.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.707 -171.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.454 ' HA ' ' HG3' ' A' ' 82' ' ' PRO . 3.1 t -83.65 32.26 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.453 -178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.8 t 63.47 23.36 13.64 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.084 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.717 -179.168 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m 63.33 24.09 14.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.958 0.409 . . . . 0.0 111.351 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.96 -39.48 2.49 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -79.87 162.11 25.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.986 0.422 . . . . 0.0 110.531 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.45 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 14.7 m -85.67 -2.32 58.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.877 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -109.54 93.47 14.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.762 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 5' ' ' SER . 35.3 Cg_endo -92.16 -73.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.914 2.409 . . . . 0.0 114.41 -172.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.489 HG12 ' SD ' ' A' ' 18' ' ' MET . 7.9 tp -130.59 -30.88 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -172.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -82.07 25.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.351 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 8' ' ' ILE . 15.9 m -61.77 -48.54 80.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.407 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -143.21 150.98 54.08 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.8 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 82.2 Cg_exo -44.26 -50.74 7.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.935 3.09 . . . . 0.0 114.097 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -56.98 -43.77 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.29 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.064 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -69.39 -44.89 70.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.391 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.525 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -65.21 -30.54 71.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.984 -177.717 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -51.35 70.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.185 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.9 ptt? -65.66 -35.68 81.48 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.843 -177.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.419 ' HB ' ' HE1' ' A' ' 16' ' ' MET . 2.6 m -63.12 -45.08 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -67.31 -45.68 75.76 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 3.7 m-20 -63.8 -29.36 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.222 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.17 -44.72 94.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 109.957 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -47.22 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.3 pp0? -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.795 0.331 . . . . 0.0 110.603 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.19 -46.16 61.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.101 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -67.26 -22.24 65.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -70.7 -32.8 70.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.105 0.478 . . . . 0.0 110.385 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -97.95 12.74 33.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.378 -175.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -69.46 -42.69 74.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.981 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.67 3.6 88.1 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.06 -39.42 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.058 -0.571 . . . . 0.0 110.443 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 64.0 mt -83.73 168.25 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 -177.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.543 ' O ' ' HG3' ' A' ' 37' ' ' MET . 12.6 p -94.84 167.32 11.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.539 177.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.154 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.16 -40.33 62.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.205 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.51 -38.01 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.486 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.543 ' HG3' ' O ' ' A' ' 33' ' ' THR . 42.9 mtt -66.78 -37.18 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 110.089 175.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.64 -46.64 84.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.265 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.79 -38.79 86.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.8 mmm -59.24 -36.02 74.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.502 175.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -40.08 62.06 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.773 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.0 ptp -75.73 -30.14 59.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.809 0.305 . . . . 0.0 111.671 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.462 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -74.81 -25.33 58.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.16 -176.759 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.85 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.59 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.37 -25.97 63.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.5 t -78.24 -33.92 49.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 43' ' ' MET . 54.6 t -64.22 -57.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.018 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 14.8 p30 -67.69 -27.56 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 33.1 t -62.52 -55.27 28.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.23 -29.44 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.307 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.8 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.9 tmm? -68.17 -33.39 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.57 -21.65 57.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.5 mmtt -80.26 -15.44 56.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.388 0.614 . . . . 0.0 109.583 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.498 ' SD ' ' HG3' ' A' ' 58' ' ' PRO . 35.6 ttm -70.73 -56.3 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.18 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.09 143.75 15.52 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.233 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.9 141.52 94.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.767 2.311 . . . . 0.0 112.122 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 55.29 67.19 3.26 Favored Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.577 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.498 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 42.4 Cg_endo -96.5 172.85 0.9 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.209 2.606 . . . . 0.0 113.632 -173.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.8 150.77 31.01 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.841 2.361 . . . . 0.0 111.252 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.446 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 13.4 pt20 -66.39 -20.44 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.18 -23.94 67.24 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.792 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 66' ' ' MET . 24.2 mmt180 -73.45 -40.86 63.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.218 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.09 -41.73 99.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.085 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.474 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 12.1 mpt_? -74.55 0.26 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.503 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -111.6 -18.84 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.716 176.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.2 mmm -87.15 -27.67 22.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.362 -175.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 10.8 p30 -51.53 -46.14 63.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.356 172.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 19.7 m -76.24 -35.91 58.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.573 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.51 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.347 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.5 ttp -87.36 -43.31 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.258 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.16 -47.37 62.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.097 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.9 81.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.734 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.9 mm-40 -72.59 -44.3 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.933 0.396 . . . . 0.0 110.511 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.487 ' O ' HG22 ' A' ' 77' ' ' VAL . 58.1 t -65.5 -31.72 55.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.68 64.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.523 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.95 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.348 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 74' ' ' VAL . 23.4 m -70.79 -31.71 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.348 . . . . 0.0 110.552 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.8 t -72.92 -39.83 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.156 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.4 -22.38 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.957 0.408 . . . . 0.0 111.405 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 m -91.34 3.27 55.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.418 0.628 . . . . 0.0 110.358 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -94.29 120.69 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.46 151.42 70.8 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.744 2.296 . . . . 0.0 112.529 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.69 86.44 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.114 2.543 . . . . 0.0 112.83 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -164.04 -38.18 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.055 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 89' ' ' VAL . 31.3 t -134.1 25.24 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.027 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' HB3' ' OE1' ' A' ' 130' ' ' GLU . 36.6 t80 -68.2 -49.4 61.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.307 -174.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -62.38 -29.17 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.84 78.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 0.0 110.223 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 85' ' ' SER . 73.6 t -60.05 -48.73 86.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.414 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.7 mt -62.62 -41.34 98.96 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.714 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -65.82 -34.47 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.531 0.205 . . . . 0.0 111.042 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.8 m -61.08 -52.83 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.364 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.4 mm -58.99 -46.79 91.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.588 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.49 -29.96 75.01 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.539 -176.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.98 -49.21 7.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.641 0.257 . . . . 0.0 111.006 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.3 m -58.95 -36.76 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.587 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.75 -38.04 86.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 110.159 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 63.4 mtt180 -66.35 -52.9 42.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 100' ' ' SER . 5.4 pt-20 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.888 0.375 . . . . 0.0 110.803 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.0 m -57.46 -36.09 70.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.53 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 83.0 mtp -67.77 -45.08 75.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ptm -79.95 -11.89 59.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.388 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -18.98 40.27 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 171.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.48 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -84.08 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.816 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 171.87 -19.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.624 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.91 6.06 84.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.646 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.2 m 57.62 -168.36 0.12 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.907 0.353 . . . . 0.0 110.851 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.24 92.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.61 152.71 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.643 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -87.72 -16.81 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.7 -51.37 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.458 -175.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.91 -38.59 91.6 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.0 p -70.21 -8.58 51.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.433 0.635 . . . . 0.0 110.952 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.85 -43.38 4.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.903 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.51 -53.81 53.04 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.706 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 120' ' ' VAL . 8.6 p -63.41 -36.87 77.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.412 ' SD ' ' HA2' ' A' ' 94' ' ' GLY . 71.9 mmm -65.33 -48.44 73.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.1 -43.04 66.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.282 0.563 . . . . 0.0 110.183 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.488 ' HA ' ' HE3' ' A' ' 122' ' ' MET . 8.7 mt -69.91 -47.21 63.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 116' ' ' VAL . 59.8 t -54.53 -56.53 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.722 0.296 . . . . 0.0 110.459 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -53.65 -43.05 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.365 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.488 ' HE3' ' HA ' ' A' ' 119' ' ' LEU . 7.7 tmm? -81.75 -29.78 32.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.335 -174.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.65 -6.56 59.13 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.33 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -92.18 -48.49 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.509 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -155.31 145.77 22.04 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -77.28 70.97 3.73 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.794 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.9 t 67.66 25.98 8.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.662 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.53 40.83 0.68 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.609 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -91.73 135.4 33.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.344 0.592 . . . . 0.0 110.75 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.431 ' OE1' ' HB3' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -91.09 80.84 5.63 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.521 177.103 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.04 145.01 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.122 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 22.2 m 63.55 33.12 13.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.323 0.582 . . . . 0.0 110.277 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.341 -0.838 . . . . 0.0 110.71 -179.003 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -87.35 -39.41 15.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.771 0.319 . . . . 0.0 110.594 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.69 37.84 0.72 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.974 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -76.07 164.93 25.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 110.236 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -79.15 83.65 5.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.091 0.472 . . . . 0.0 111.708 -175.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -152.55 86.38 4.32 Favored Pre-proline 0 N--CA 1.445 -0.701 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 174.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -87.56 -171.29 0.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.776 2.318 . . . . 0.0 113.037 -176.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.466 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.7 tt -75.25 -14.04 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.251 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -72.59 -8.97 57.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.107 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.6 m -74.01 -14.36 61.01 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.999 0.428 . . . . 0.0 111.318 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -132.21 112.59 14.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.623 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 58.6 Cg_exo -51.41 -41.62 58.77 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.379 2.719 . . . . 0.0 112.983 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -83.74 18.01 2.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.782 0.801 . . . . 0.0 110.658 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.0 -47.59 1.78 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.697 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.233 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.664 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.4 mmt -70.69 -29.53 65.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.749 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.1 m -61.32 -49.71 75.87 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.714 0.292 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.466 ' SD ' HD13 ' A' ' 8' ' ' ILE . 24.0 ptt? -64.83 -37.3 87.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.627 HG21 HG21 ' A' ' 47' ' ' VAL . 56.3 m -65.69 -49.44 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.497 -176.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -66.94 -36.9 83.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.578 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 91.9 m-20 -70.02 -31.44 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 110.814 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.11 -40.9 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 109.878 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.19 -43.44 84.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.083 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.2 pp0? -69.35 -37.76 77.81 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.685 -177.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 96' ' ' CYS . 41.6 t -67.35 -46.06 74.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -67.36 -28.09 67.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.187 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 t -68.48 -30.6 69.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.018 0.437 . . . . 0.0 110.694 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -108.29 19.19 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -176.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.12 -40.83 71.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.92 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 9.15 82.77 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.18 -44.16 6.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.432 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 42.3 mt -78.35 178.07 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.227 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 36' ' ' GLN . 13.4 t -112.72 168.52 9.61 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.9 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.17 72.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.4 -33.71 65.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' H ' HG23 ' A' ' 33' ' ' THR . 89.2 mt-30 -70.73 -23.56 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 33' ' ' THR . 54.6 mtt -71.15 -24.39 62.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.55 -38.14 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 42' ' ' MET . 38.7 m-20 -58.01 -47.93 81.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.49 0.662 . . . . 0.0 109.423 173.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -56.04 -40.28 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.395 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.17 -41.11 54.61 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.5 ptp -69.01 -34.07 74.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.811 0.306 . . . . 0.0 111.439 -175.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -31.17 51.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.842 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.522 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . . . -75.17 -4.18 37.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -87.93 -43.66 11.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.282 0.563 . . . . 0.0 109.827 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -72.15 -32.36 66.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.003 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.627 HG21 HG21 ' A' ' 19' ' ' THR . 11.2 m -59.19 -49.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.664 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 9.7 p30 -69.91 -31.83 69.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.048 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -63.04 -41.63 99.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.076 0.465 . . . . 0.0 110.209 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 52.7 mt-30 -80.91 -37.55 29.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.283 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 9.8 tmm? -66.1 -39.52 90.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.71 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -70.73 -28.78 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.285 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HE2' ' HA ' ' A' ' 50' ' ' GLN . 64.6 pttt -88.19 -0.71 57.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.706 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.8 ttm -70.13 -38.06 75.45 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 104.31 153.74 22.91 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.499 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.36 26.29 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.772 2.314 . . . . 0.0 112.15 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -163.11 84.02 1.44 Allowed Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.805 -177.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' CB ' HD21 ' A' ' 63' ' ' LEU . 38.0 Cg_endo -66.15 124.12 12.16 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.922 2.415 . . . . 0.0 113.403 -171.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.77 47.79 2.64 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.936 2.424 . . . . 0.0 112.483 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 63.54 -74.21 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -57.32 -22.59 43.06 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.12 -19.93 59.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 112.1 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 58' ' ' PRO . 85.5 mt -77.25 -41.98 38.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -177.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 19.1 ptt-85 -70.36 -14.1 62.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.1 -51.89 5.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.7 mtp -70.84 -27.29 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 11.5 p30 -63.42 -38.43 91.11 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.763 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 m -76.2 -29.13 57.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.512 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.93 -53.5 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.061 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -68.27 -43.98 76.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.059 0.456 . . . . 0.0 110.351 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.65 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.678 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.02 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.53 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mm-40 -76.09 -36.28 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.005 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 24.3 m -78.37 -17.29 13.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.66 -46.59 88.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.685 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.96 -27.33 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.905 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 86' ' ' TYR . 39.4 t -71.93 -40.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.021 178.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.5 m -66.8 -20.1 65.88 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.803 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 35.5 m -83.78 135.03 43.36 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.067 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 84' ' ' GLN . 17.1 Cg_exo -67.79 153.1 76.62 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.695 2.263 . . . . 0.0 112.272 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.512 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 17.1 Cg_exo -69.57 25.6 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.536 2.824 . . . . 0.0 113.136 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' A' ' 82' ' ' PRO . 77.9 mt-30 -121.21 -6.18 9.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.473 0.654 . . . . 0.0 109.497 175.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -138.36 15.35 2.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.125 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' CE2' HG12 ' A' ' 78' ' ' VAL . 56.8 t80 -75.44 -47.77 25.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.295 -169.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -65.41 -29.05 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.534 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.21 85.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 93' ' ' ILE . 73.9 t -67.59 -42.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.048 177.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD21 ' HD3' ' A' ' 121' ' ' LYS . 3.1 tt -57.96 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.417 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.95 -37.31 86.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.8 m -59.64 -55.52 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.804 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.0 mm -56.23 -41.25 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -46.99 77.42 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.808 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.03 91.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.629 0.252 . . . . 0.0 110.964 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 25' ' ' CYS . 75.4 m -76.77 -0.33 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.99 -177.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.18 -33.84 9.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -63.94 -64.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.379 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -63.73 -35.73 81.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.755 -177.173 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.6 m -63.33 -35.44 80.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.713 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.8 ttt -63.82 -50.04 70.49 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.716 0.293 . . . . 0.0 111.017 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.0 ptp -71.34 -23.76 61.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.835 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 7.5 tp60 -66.51 -26.01 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.227 0.536 . . . . 0.0 109.703 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.506 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.04 -63.19 1.45 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.787 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.0 t 169.84 -24.11 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.98 24.06 9.69 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.972 -171.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.8 p 47.91 -148.44 0.19 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.772 0.429 . . . . 0.0 110.708 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.87 101.13 11.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.33 144.77 35.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -81.96 -19.45 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.696 -172.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.68 -48.09 4.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.081 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 116' ' ' VAL . 76.3 t80 -60.27 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.59 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.3 p -60.75 -41.64 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.209 0.528 . . . . 0.0 110.583 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.43 -39.74 89.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.046 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.24 -47.81 80.88 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 123.201 0.6 . . . . 0.0 110.8 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.1 t -57.6 -48.21 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.619 ' O ' ' HD2' ' A' ' 121' ' ' LYS . 19.7 mmt -56.2 -52.88 62.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.1 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -54.78 -51.46 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.587 0.555 . . . . 0.0 111.024 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.422 ' HA ' ' HE3' ' A' ' 122' ' ' MET . 14.1 mt -61.02 -49.28 78.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.774 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 116' ' ' VAL . 67.9 t -59.56 -47.76 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.174 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.619 ' HD2' ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -62.96 -48.05 80.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.3 178.469 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.422 ' HE3' ' HA ' ' A' ' 119' ' ' LEU . 9.8 tmm? -65.86 -29.16 69.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.804 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.08 9.57 30.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.9 p -131.3 -61.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -163.52 108.78 1.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.188 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -82.93 -5.2 58.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.655 0.74 . . . . 0.0 110.231 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.8 m -79.48 35.87 0.29 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.001 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.96 85.12 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.213 0.53 . . . . 0.0 111.357 -176.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -116.18 -58.01 2.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.37 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 83' ' ' PRO . 39.1 tt0 62.19 89.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.588 176.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 11.7 p -125.25 138.99 52.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.0 p -87.57 13.78 9.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.17 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 33.0 p . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.455 177.749 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.588 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.3 tt . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.484 ' HB2' HD22 ' A' ' 63' ' ' LEU . 59.0 m95 -74.13 73.79 1.74 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -132.64 -7.4 3.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.742 0.782 . . . . 0.0 109.96 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -155.32 120.92 2.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.674 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.89 -47.09 22.51 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.27 2.646 . . . . 0.0 113.121 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.49 94.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.841 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.412 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -68.07 -50.84 52.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.06 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.486 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.484 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -67.91 -26.59 66.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.842 177.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 53.1 m -61.82 -53.19 59.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.516 0.198 . . . . 0.0 110.891 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.588 ' SD ' HD13 ' A' ' 8' ' ' ILE . 22.4 ptt? -61.72 -37.49 84.39 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.603 -178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -63.18 -43.15 99.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.618 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.39 -39.79 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.778 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 90.1 m-20 -61.69 -35.65 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.762 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.92 -49.57 76.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.2 -45.24 96.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.026 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.5 pp0? -66.69 -33.22 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.612 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -68.57 -49.06 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.333 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -71.53 -27.87 63.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.498 -176.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -68.65 -23.88 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.091 0.472 . . . . 0.0 110.765 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -108.2 19.66 19.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -79.4 -39.07 33.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.93 2.48 88.43 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -96.71 -43.45 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.421 -0.39 . . . . 0.0 111.044 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 26' ' ' ALA . 79.5 mt -74.97 164.66 26.32 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.379 0.609 . . . . 0.0 111.56 -175.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -90.13 171.97 9.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.225 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -31.26 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.94 -48.85 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.871 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 40' ' ' MET . 75.8 mt-30 -61.74 -40.16 94.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.194 -176.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.3 mtm -67.72 -25.14 65.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.716 0.294 . . . . 0.0 111.213 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.59 -32.87 17.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.175 0.512 . . . . 0.0 109.944 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 42' ' ' MET . 10.2 t70 -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.883 176.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 87.2 mtp -65.73 -25.8 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.827 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.38 -49.43 56.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.709 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.4 ptp -69.99 -24.75 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.32 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.49 ' SD ' HG22 ' A' ' 74' ' ' VAL . 39.4 ttp -67.24 -49.27 65.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.896 174.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.37 83.28 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.648 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.413 ' HA ' HD21 ' A' ' 48' ' ' ASN . 29.4 t70 -59.27 -41.49 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.467 176.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 47.7 t -63.72 -38.77 92.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.496 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 43' ' ' MET . 59.1 t -60.39 -52.59 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.828 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.413 HD21 ' HA ' ' A' ' 45' ' ' ASP . 9.9 p30 -68.08 -24.58 65.07 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.318 -177.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -66.04 -50.74 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.908 0.385 . . . . 0.0 109.994 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 46' ' ' SER . 19.4 pt20 -77.95 -22.8 48.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.869 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -66.69 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -74.17 -17.6 60.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 0.0 110.564 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 9.2 mmpt? -93.43 4.27 54.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.134 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.642 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 50.0 ttm -73.4 -38.35 65.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.647 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.43 154.07 18.88 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.737 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.76 131.75 30.34 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.784 2.323 . . . . 0.0 111.497 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 58.54 80.15 0.29 Allowed Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 -170.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.642 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 72.7 Cg_exo -51.23 114.13 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.778 2.985 . . . . 0.0 113.903 -171.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.65 139.27 27.87 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.582 2.188 . . . . 0.0 111.464 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.419 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 14.0 pt20 -64.22 -21.81 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -69.18 -18.34 63.91 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.396 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -88.26 -34.94 17.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.259 0.552 . . . . 0.0 109.718 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 9' ' ' TRP . 41.6 mt -68.11 -35.37 78.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.17 -175.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 60' ' ' GLN . 3.4 mpt_? -69.86 -17.85 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.06 -34.06 11.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.7 tpp -63.15 -40.81 98.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.324 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -58.08 -35.8 71.92 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.658 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -76.64 -37.31 56.54 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.357 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.17 82.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.745 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 74' ' ' VAL . 32.2 ttm -59.7 -52.99 63.13 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 109.752 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.55 -42.39 67.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.996 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.19 79.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.16 -31.46 25.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.008 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 70' ' ' MET . 70.9 t -67.45 -35.5 73.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 110.038 172.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -31.55 67.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.464 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.3 -44.92 92.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.505 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.96 -43.41 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.331 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -73.58 -33.63 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.049 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 -13.85 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.069 0.462 . . . . 0.0 111.312 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.7 m -84.77 -4.63 59.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.437 0.636 . . . . 0.0 110.204 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -91.19 137.45 26.31 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.994 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.68 158.53 53.2 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.482 2.121 . . . . 0.0 110.634 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.52 -26.62 46.21 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.877 2.385 . . . . 0.0 112.862 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -67.02 -44.05 81.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.164 0.507 . . . . 0.0 110.844 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -97.86 -12.66 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.621 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -50.92 -50.34 57.79 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.801 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -61.48 -37.18 82.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.654 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.03 -34.64 64.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.125 0.488 . . . . 0.0 110.522 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.71 -47.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.001 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -59.83 -42.25 93.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.052 178.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.6 -42.77 88.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.978 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.38 -50.45 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.1 mm -59.14 -48.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.956 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.75 73.22 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 113.38 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.82 -54.75 4.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.609 0.242 . . . . 0.0 110.809 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.5 m -60.58 -36.24 78.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.873 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.42 -40.76 95.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 109.879 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -65.6 -49.65 67.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.236 0.541 . . . . 0.0 110.589 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -54.55 -55.78 25.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.563 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -57.23 -36.22 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.892 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.6 mmm -54.69 -51.95 63.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 111.299 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.6 ptm -78.4 -27.15 46.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.414 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -75.31 -3.75 35.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.462 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.53 -68.11 0.74 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.445 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.7 t 178.68 -29.61 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.717 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.15 17.95 58.3 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.681 -171.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.3 m 60.42 -177.11 0.1 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.262 0.531 . . . . 0.0 110.701 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.32 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.764 0.793 . . . . 0.0 110.914 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.93 139.16 30.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.616 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -67.38 -35.24 78.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.65 -173.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 115' ' ' GLU . . . -60.75 -48.06 83.51 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.21 -45.39 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.9 p -66.59 -23.98 66.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 0.0 110.547 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -72.15 -52.17 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.266 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 54.2 mt-10 -57.4 -50.98 71.26 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.677 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 120' ' ' VAL . 87.2 t -57.43 -53.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -49.7 75.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.303 0.241 . . . . 0.0 111.366 -177.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -58.32 -50.41 73.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.42 -43.35 77.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.84 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.1 -50.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 120.725 0.298 . . . . 0.0 110.75 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.404 ' HG2' HD21 ' A' ' 90' ' ' LEU . 57.5 mtpt -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.952 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 50.9 ttp -67.09 -37.76 84.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.334 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.7 2.3 45.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.914 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.5 t -115.27 -29.94 6.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.628 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 121.66 0.743 . . . . 0.0 110.777 -177.638 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.573 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.4 tt . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 121.348 0.594 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -85.05 11.72 9.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.333 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.7 p -82.77 -15.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -135.69 118.2 12.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 99.6 Cg_exo -44.88 -48.4 10.8 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 123.602 2.868 . . . . 0.0 113.291 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.21 -34.71 78.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -49.01 58.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -64.65 -44.97 88.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.116 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.482 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -62.45 -33.85 75.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.078 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -59.25 -48.54 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.638 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.573 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.83 -29.16 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.012 -177.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -67.52 -49.93 61.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.701 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -69.09 -35.69 76.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.41 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.8 m-20 -66.61 -25.92 66.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.9 -46.41 65.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.13 -47.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.082 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.1 pp0? -60.85 -30.02 69.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.78 0.324 . . . . 0.0 110.789 -178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.56 -49.27 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.343 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.02 71.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.603 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 t -72.25 -15.3 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -113.92 10.27 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -70.15 -50.96 35.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.404 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.52 3.72 77.59 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.189 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -98.4 -37.86 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.446 0.641 . . . . 0.0 109.842 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.83 160.26 20.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.493 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.7 p -79.11 166.3 22.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.9 -27.58 68.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.705 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -78.46 -51.29 10.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.642 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.2 -36.01 74.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.406 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.3 mtm -69.69 -27.81 65.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.098 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -82.1 -33.15 29.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 109.983 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.68 -33.94 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.196 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.525 ' SD ' HG21 ' A' ' 77' ' ' VAL . 88.0 mmm -54.19 -44.75 71.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.869 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.03 71.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.614 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.0 mtm -69.15 -38.8 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.226 -0.189 . . . . 0.0 111.204 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -78.33 -29.94 47.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.067 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.48 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.86 -41.13 95.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.966 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 t -70.87 -30.91 67.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.688 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 43' ' ' MET . 90.8 t -59.21 -51.2 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.445 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.478 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 8.1 p30 -68.51 -34.19 75.44 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.507 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.1 m -60.74 -46.04 91.96 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 177.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 45.5 mt-30 -70.54 -34.94 72.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.798 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.766 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 6.6 tmm? -69.23 -39.9 78.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.602 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -71.6 -31.28 66.75 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.686 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 49' ' ' SER . 61.1 pttt -91.65 14.31 15.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.017 0.436 . . . . 0.0 111.001 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.9 ttm -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.49 143.79 5.82 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.133 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.11 125.79 13.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.683 2.256 . . . . 0.0 111.298 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 50.63 69.73 2.43 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.44 134.95 29.94 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.524 2.149 . . . . 0.0 113.405 -170.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.9 152.47 77.08 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 0.0 111.078 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.56 -21.61 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -76.77 -14.61 59.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.018 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -89.04 -31.44 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.72 -47.46 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.542 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -43.31 61.84 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.456 -174.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . -87.23 14.68 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -177.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 71.6 mmm -114.72 -43.11 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -44.58 96.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.002 0.429 . . . . 0.0 109.996 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.409 HG23 ' CD2' ' A' ' 119' ' ' LEU . 96.0 m -68.79 -31.82 71.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.819 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 65' ' ' ALA . . . -63.1 -52.49 62.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.585 -177.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 74' ' ' VAL . 59.7 ttp -62.64 -44.07 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 109.992 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.66 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.154 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.462 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.81 -27.07 40.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.134 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 70' ' ' MET . 99.6 t -69.67 -34.98 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -27.06 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.427 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.67 -45.68 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.467 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.525 HG21 ' SD ' ' A' ' 40' ' ' MET . 14.1 m -76.5 -28.79 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.634 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 74' ' ' VAL . 64.5 t -68.98 -27.29 34.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.323 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.0 -18.04 65.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -89.93 -2.28 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.383 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m -94.75 123.07 59.06 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.13 150.25 77.04 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.3 2.0 . . . . 0.0 111.749 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.65 -25.97 28.01 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.122 2.548 . . . . 0.0 113.199 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p -95.11 6.5 48.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.36 -42.81 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 51.3 m -75.58 4.72 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.745 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.31 -35.99 6.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 93' ' ' ILE . 99.7 t -71.86 -54.2 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.014 178.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.55 -37.99 79.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.558 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 87' ' ' SER . 6.2 t-20 -60.05 -46.02 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.284 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -61.95 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.937 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.2 mm -56.68 -54.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.77 95.89 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.454 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.51 75.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.797 0.332 . . . . 0.0 111.882 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.7 m -72.32 -40.08 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.299 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.0 -38.46 91.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.287 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -55.34 -52.4 63.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.729 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.611 ' HG3' ' N ' ' A' ' 100' ' ' SER . 2.3 pt-20 -71.2 -37.8 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.068 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.611 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 60.0 m -56.5 -33.8 66.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.374 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.5 mmm -60.19 -48.33 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 14.5 ptm -80.89 -26.33 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.358 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.88 -10.55 59.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 110.623 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -89.93 -61.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.336 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.468 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.7 t 174.07 -28.81 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.3 27.4 9.44 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.996 -169.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 81.4 p 48.37 -158.27 0.05 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.964 0.506 . . . . 0.0 111.353 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.4 t -111.62 104.26 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.171 0.51 . . . . 0.0 109.77 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.16 -175.24 5.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -137.44 21.23 2.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.136 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.67 -50.54 2.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.261 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -68.36 -51.38 44.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.601 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.7 p -55.02 -41.12 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.368 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -48.8 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.26 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 119' ' ' LEU . 26.5 tt0 -59.18 -47.75 84.14 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.5 -45.67 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.769 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.493 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 9.1 mmt -70.55 -9.5 56.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -98.22 -54.58 3.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 115' ' ' GLU . 10.0 mp -62.05 -42.28 99.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.977 -175.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.34 -26.94 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.267 0.556 . . . . 0.0 110.476 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -88.39 -50.1 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.258 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -69.6 -36.36 76.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.3 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.6 mt -82.09 -1.42 48.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.371 . . . . 0.0 110.695 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -112.75 -71.08 0.77 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.396 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.678 -177.6 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.415 HG12 ' SD ' ' A' ' 18' ' ' MET . 4.5 tp . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -75.2 67.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.82 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -104.91 -30.97 9.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.518 0.675 . . . . 0.0 110.276 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -138.18 125.14 13.32 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.854 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.2 Cg_exo -46.2 -45.63 17.95 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.236 2.624 . . . . 0.0 112.912 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.52 -36.97 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.37 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -67.92 -45.32 74.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.586 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -65.58 -40.2 92.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.216 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -21.5 63.97 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.414 177.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 94.9 m -60.99 -52.67 64.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.6 ptt? -65.18 -36.2 83.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.456 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -65.52 -44.84 85.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.622 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -67.91 -38.99 83.62 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.849 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.43 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.7 m-20 -62.77 -32.74 73.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.95 -44.55 89.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.209 0.528 . . . . 0.0 109.723 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.11 -47.49 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.954 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.9 pt20 -68.52 -24.85 64.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -75.09 -50.8 15.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.053 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.2 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 t -71.59 -12.82 61.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.068 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -124.25 19.63 8.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 p -74.44 -39.78 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.697 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.27 -16.45 59.75 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.25 -49.04 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.09 0.472 . . . . 0.0 110.472 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.44 153.2 40.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.312 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 37' ' ' MET . 4.5 t -90.14 164.84 14.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.54 64.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.64 -46.51 85.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.109 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 40' ' ' MET . 77.0 mt-30 -66.28 -36.22 82.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.659 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 33' ' ' THR . 55.6 mtt -64.42 -32.03 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.793 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.18 -42.11 56.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -34.61 74.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 92.7 mmm -61.94 -33.38 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.63 -44.25 82.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.258 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.2 -21.11 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.283 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.407 ' HG2' ' HB3' ' A' ' 73' ' ' GLU . 14.5 tmm? -59.91 -46.22 90.06 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.33 82.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.657 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.3 -41.97 98.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.587 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.5 t -59.89 -50.15 74.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.019 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.45 -43.96 91.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.8 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -48.83 -53.03 20.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 t -62.06 -41.29 97.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.278 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 46' ' ' SER . 48.5 mt-30 -74.94 -33.29 61.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 0.0 110.95 -177.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.42 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 50.8 ttp -67.14 -26.5 66.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.76 -19.59 62.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.089 0.471 . . . . 0.0 110.607 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 10.3 mmpt? -90.45 -6.22 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.208 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.447 ' HB2' ' HE3' ' A' ' 54' ' ' MET . 41.5 ttm -66.13 -67.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.652 -178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.77 151.22 13.54 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.185 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.36 145.9 67.03 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.938 2.425 . . . . 0.0 112.816 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 p30 37.99 69.77 1.39 Allowed Pre-proline 0 N--CA 1.47 0.559 0 O-C-N 124.392 1.057 . . . . 0.0 112.996 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 62' ' ' ARG . 47.3 Cg_endo -95.13 148.94 1.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.256 2.637 . . . . 0.0 113.02 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HD2' ' HG3' ' A' ' 62' ' ' ARG . 17.1 Cg_exo -63.26 160.7 33.68 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.82 2.347 . . . . 0.0 112.264 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -39.55 42.96 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -70.82 -19.41 62.67 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.495 ' HG3' ' HD2' ' A' ' 59' ' ' PRO . 25.6 mmm180 -73.37 -37.04 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 110.224 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.87 -25.9 43.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.469 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.51 10.38 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.278 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.49 -1.58 14.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.175 0.512 . . . . 0.0 110.199 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.2 mmm -106.67 -23.03 12.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.814 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -52.1 -57.0 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.9 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.3 m -64.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -50.73 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.388 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.9 ttp -73.3 -43.54 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.151 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 120' ' ' VAL . . . -51.12 -48.35 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.118 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.407 ' HB3' ' HG2' ' A' ' 43' ' ' MET . 5.5 mm-40 -76.97 -38.39 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.888 0.375 . . . . 0.0 110.573 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.03 -22.88 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.53 0.681 . . . . 0.0 109.885 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.0 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.463 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.13 -43.98 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.956 -175.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.0 m -71.65 -25.29 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 111.07 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.19 -28.57 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -23.25 66.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.063 0.458 . . . . 0.0 111.067 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -93.12 9.94 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.239 0.542 . . . . 0.0 110.893 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 m -94.41 125.26 52.68 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.72 147.7 69.94 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.696 2.264 . . . . 0.0 111.684 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.28 -42.28 27.46 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 123.418 2.745 . . . . 0.0 113.89 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -73.97 -36.89 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.846 0.355 . . . . 0.0 111.189 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.6 m -79.04 -18.2 53.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.556 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.35 -44.63 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.579 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.2 m -53.61 -39.12 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.76 -31.01 59.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 110.363 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.38 -11.49 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.922 0.868 . . . . 0.0 110.251 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -93.75 -57.29 2.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.421 174.463 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.86 -47.97 70.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.338 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -60.36 -51.12 70.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.671 0.272 . . . . 0.0 111.53 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.8 mm -58.76 -44.09 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.69 -43.34 94.48 Favored Glycine 0 C--N 1.329 0.143 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.683 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.2 75.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.61 -43.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.967 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 97' ' ' LEU . 1.1 tm? -64.04 -42.47 97.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.887 0.375 . . . . 0.0 110.206 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -40.93 84.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 177.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -72.07 -58.72 3.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.5 p -51.74 -38.95 57.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.989 -173.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.7 ttt -60.91 -51.07 70.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.47 -177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.8 ptm -79.07 -24.74 43.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.05 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.74 -11.91 61.22 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.112 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.69 -70.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.316 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.4 t 176.19 -36.71 0.01 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.692 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 30.32 3.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.211 -0.518 . . . . 0.0 113.338 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 101' ' ' MET . 71.4 p 50.92 -166.7 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.196 0.599 . . . . 0.0 110.945 -176.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.62 107.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.495 0.664 . . . . 0.0 110.174 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.7 148.08 45.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.763 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -78.81 -25.21 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.799 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.87 -45.1 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.168 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -56.51 -43.41 79.71 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.328 0.393 . . . . 0.0 111.641 -176.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.402 HG22 HD12 ' A' ' 97' ' ' LEU . 6.0 p -55.76 -55.95 26.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.352 0.596 . . . . 0.0 110.396 176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.66 -41.35 85.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.638 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -56.45 -59.2 5.32 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.914 0.886 . . . . 0.0 111.399 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 120' ' ' VAL . 12.1 p -68.36 -39.48 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 55.0 mmm -58.14 -52.26 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -63.25 -38.86 92.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 110.362 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.92 -43.31 98.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.752 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 116' ' ' VAL . 72.9 t -53.8 -44.91 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-O 121.085 0.469 . . . . 0.0 110.908 176.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 17.2 mmmt -73.6 -46.33 47.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.601 . . . . 0.0 110.677 -175.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.47 -27.83 69.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.737 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.8 mt -93.99 10.79 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.48 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.7 p -125.02 -60.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.476 178.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.419 HG12 ' HG2' ' A' ' 18' ' ' MET . 7.7 tp . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.445 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 64.5 m95 -83.89 33.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.307 -0.245 . . . . 0.0 110.646 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -61.46 -47.66 84.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.85 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.85 160.68 43.03 Favored Pre-proline 0 N--CA 1.442 -0.851 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 72.0 Cg_exo -47.67 -48.73 15.03 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.391 2.728 . . . . 0.0 113.728 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -62.07 -42.3 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.081 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.76 84.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 0.0 111.134 -174.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -74.49 -45.13 48.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.264 -177.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.591 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -65.25 -32.33 73.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -177.569 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 104' ' ' ALA . 53.2 m -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.432 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 0.0 OUTLIER -69.26 -33.67 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.17 -177.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.4 m -65.61 -45.99 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 0.0 110.758 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -72.44 -33.57 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.65 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.476 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.3 m-20 -64.95 -33.13 75.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.052 0.453 . . . . 0.0 110.424 176.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.2 tp -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.47 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.04 -49.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.876 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.476 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 3.2 pt20 -67.98 -31.29 70.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.925 0.393 . . . . 0.0 110.964 -175.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.38 -42.82 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.76 -29.51 51.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.588 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -67.95 -20.36 65.05 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.297 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -123.97 28.73 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 110.612 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -74.39 -38.13 63.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.007 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.61 8.41 67.82 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.7 t -111.59 -49.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.932 0.396 . . . . 0.0 110.448 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.51 145.24 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.2 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -79.35 172.08 14.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.71 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.506 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.8 -50.66 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.241 0.543 . . . . 0.0 109.766 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -60.59 -37.75 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.513 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.2 ptp -74.48 -17.76 60.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.411 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -79.55 -33.6 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.261 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -60.72 -32.1 71.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.161 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.532 ' SD ' HG21 ' A' ' 77' ' ' VAL . 90.1 mmm -56.0 -45.11 79.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.658 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.69 57.18 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.707 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.6 ptp -67.04 -32.24 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.57 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -74.84 -33.46 62.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.043 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -59.68 -41.54 90.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.414 ' HA ' HD21 ' A' ' 48' ' ' ASN . 29.0 t70 -60.44 -44.78 95.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 110.336 176.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -59.52 -39.64 84.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.223 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 43' ' ' MET . 96.3 t -60.51 -53.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.757 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.498 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 12.0 p30 -68.96 -28.05 66.29 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.141 -0.623 . . . . 0.0 111.404 -177.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -61.36 -38.33 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 0.0 109.762 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 41.7 mt-30 -82.52 -23.79 34.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.886 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.723 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.0 tmm? -80.94 -30.26 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 111.242 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 49.6 mt-30 -74.84 -20.54 59.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.358 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -88.75 -9.02 53.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.17 174.661 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.419 ' HB3' ' O ' ' A' ' 51' ' ' MET . 33.2 ttm -72.07 -49.85 33.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.267 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.06 132.3 7.6 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.308 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.09 133.71 59.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.611 2.207 . . . . 0.0 111.671 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 60.13 69.15 1.25 Allowed Pre-proline 0 C--O 1.234 0.259 0 O-C-N 124.009 0.818 . . . . 0.0 109.355 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -84.44 156.45 12.46 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.826 2.35 . . . . 0.0 113.873 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.55 145.79 59.49 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.738 2.292 . . . . 0.0 111.553 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' CD ' ' H ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -44.97 -44.98 10.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.779 0.831 . . . . 0.0 113.089 -171.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -65.32 -19.0 65.76 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -79.14 -26.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.182 -0.324 . . . . 0.0 111.418 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 60' ' ' GLN . 2.9 mm? -70.77 -36.72 73.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.861 0.362 . . . . 0.0 110.764 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -61.59 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.455 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.95 -23.09 63.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.343 -172.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 63.3 mmm -85.12 -32.34 22.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.792 0.33 . . . . 0.0 111.283 -174.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -35.83 80.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.101 0.477 . . . . 0.0 109.85 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.558 HG23 ' CD2' ' A' ' 119' ' ' LEU . 77.3 m -74.51 -35.5 63.19 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.534 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.59 85.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -65.44 -43.46 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 110.135 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.04 69.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.597 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.47 67.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.582 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.73 -26.7 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.028 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 77' ' ' VAL . 57.5 t -72.86 -27.43 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.238 0.542 . . . . 0.0 110.069 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.99 67.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.394 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.19 -30.53 71.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.932 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -82.24 -22.1 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.5 -178.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.0 -32.01 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.8 -18.67 65.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.317 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -89.11 9.1 26.68 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.213 0.53 . . . . 0.0 111.172 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m -98.09 131.65 26.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.89 134.75 30.67 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.218 1.945 . . . . 0.0 111.449 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -42.69 -42.64 8.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.856 3.038 . . . . 0.0 114.353 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -62.48 -23.43 66.91 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -119.59 3.01 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -59.02 -44.2 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -56.29 -37.43 69.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.384 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.47 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.76 -42.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.621 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.23 -39.66 93.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.054 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -56.91 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.874 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -62.75 -53.33 55.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.772 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 mm -57.13 -48.55 81.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.246 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.43 -41.57 99.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.663 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -65.82 -52.14 53.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.41 -37.28 77.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.87 -41.31 83.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 111.31 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.9 ttm180 -64.04 -44.94 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.594 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 33.9 mm-40 -65.62 -56.15 13.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.424 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.51 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 34.9 p -53.9 -32.58 53.91 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.275 -174.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.28 -51.37 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.348 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.67 -18.25 31.76 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.775 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.51 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -67.11 -26.36 66.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.339 172.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.53 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -72.9 -70.53 0.35 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.726 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.5 t 167.4 -19.68 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 -176.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.72 7.61 81.51 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.055 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.4 m 62.65 173.61 0.14 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.282 0.563 . . . . 0.0 111.066 -175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -99.16 104.89 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 122.101 0.953 . . . . 0.0 109.667 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.07 168.58 15.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.626 -1.624 . . . . 0.0 112.093 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.21 -18.77 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.204 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.33 -52.31 3.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.329 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.27 -53.9 53.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.054 0.454 . . . . 0.0 110.769 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -17.86 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.067 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -89.52 -47.14 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.727 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.16 -53.7 41.04 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.67 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 120' ' ' VAL . 74.9 t -54.96 -46.26 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.425 ' O ' ' HD3' ' A' ' 121' ' ' LYS . 0.2 OUTLIER -59.13 -44.8 92.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.873 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.9 -48.06 82.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.444 . . . . 0.0 110.458 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.558 ' CD2' HG23 ' A' ' 68' ' ' THR . 8.5 mp -65.37 -42.91 92.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.84 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.0 t -53.51 -43.5 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.968 0.414 . . . . 0.0 110.5 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 117' ' ' MET . 35.4 mtpt -65.36 -50.82 64.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.684 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -76.79 -24.83 52.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.289 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.5 mt -89.44 2.2 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.238 -0.289 . . . . 0.0 111.118 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.0 p -117.78 -67.27 1.0 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.137 -176.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 tt . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.145 0.498 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -78.49 16.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.128 -0.358 . . . . 0.0 111.471 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.54 -22.88 40.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -132.65 114.67 14.39 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.146 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.773 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 87.9 Cg_exo -47.2 -45.15 22.58 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.5 2.8 . . . . 0.0 113.584 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.54 -40.73 96.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.491 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.61 74.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.694 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.36 82.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.544 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.714 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -62.09 -28.51 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 104' ' ' ALA . 99.1 m -60.62 -50.28 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -29.47 63.49 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.389 -176.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -66.61 -44.35 82.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 110.598 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -69.47 -42.47 74.82 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.33 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.424 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.1 m-20 -61.42 -33.7 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.834 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.75 -47.63 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 0.0 110.209 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.61 -44.96 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.998 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 2.6 pt20 -66.67 -34.84 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 110.382 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.95 -41.25 82.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 109.974 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -70.63 -26.84 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.467 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.9 m -76.24 -30.09 57.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.148 0.499 . . . . 0.0 110.892 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -98.8 15.86 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.002 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -73.31 -50.35 22.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.29 -3.09 79.39 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -99.9 -38.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.405 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 ' HB1' ' A' ' 26' ' ' ALA . 9.8 mp -76.52 163.17 27.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.044 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' HG3' ' A' ' 37' ' ' MET . 80.3 p -93.98 166.62 12.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.655 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.85 73.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.01 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.78 -48.07 70.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -64.2 -37.18 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.671 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 33' ' ' THR . 30.2 mtt -69.25 -38.5 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.841 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.741 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.961 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 37' ' ' MET . 74.6 mmm -58.81 -41.55 87.03 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.263 0.554 . . . . 0.0 110.177 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.76 -42.38 95.24 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.875 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.24 -31.85 72.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.984 0.421 . . . . 0.0 110.513 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.504 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.4 tmm? -60.48 -56.59 19.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.973 174.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.63 76.15 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.58 -48.51 63.15 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.84 0.713 . . . . 0.0 111.167 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 34.6 t -72.99 -33.82 66.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 43' ' ' MET . 87.0 t -56.73 -51.13 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.735 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.714 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 7.5 p30 -66.04 -32.19 73.51 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.267 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -60.9 -54.18 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 46' ' ' SER . 13.0 pt20 -73.63 -32.93 64.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.773 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 15.3 tmm? -72.47 -39.97 67.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -72.29 -36.72 69.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.529 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -81.78 11.15 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.749 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 19.1 ttp -76.69 -21.31 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 109.908 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.93 151.24 21.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.476 171.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.61 131.36 22.72 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.786 2.324 . . . . 0.0 111.034 174.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 59.39 75.53 0.5 Allowed Pre-proline 0 N--CA 1.464 0.24 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.87 139.17 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.786 2.324 . . . . 0.0 113.127 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -66.71 137.84 47.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.253 1.969 . . . . 0.0 110.384 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -59.01 -31.42 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -169.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -62.31 -29.81 70.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.148 0.431 . . . . 0.0 111.089 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.749 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 17.0 mmt180 -69.48 -31.74 70.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.197 0.522 . . . . 0.0 110.398 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.9 -1.11 13.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.045 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -96.53 -53.73 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.839 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.31 -28.18 66.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.249 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 94.6 mmm -61.56 -33.06 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.09 -49.27 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 m -61.63 -41.29 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.595 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.58 -52.21 65.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.474 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 74' ' ' VAL . 58.0 ttp -67.4 -44.24 79.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.157 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.25 86.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.645 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.72 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.577 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 9.2 mm-40 -80.33 -38.06 31.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 70' ' ' MET . 48.6 t -66.44 -26.93 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.333 0.587 . . . . 0.0 109.906 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -24.77 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.535 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.15 -48.5 78.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 74' ' ' VAL . 26.6 m -70.27 -26.57 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.388 . . . . 0.0 111.24 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.34 -30.77 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.912 0.387 . . . . 0.0 110.71 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -15.66 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.614 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -85.87 5.17 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.799 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -99.76 130.03 27.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.513 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.58 162.5 41.16 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.425 2.083 . . . . 0.0 111.404 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.6 12.09 0.26 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.163 2.576 . . . . 0.0 113.704 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -105.05 -61.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.061 0.457 . . . . 0.0 110.351 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 p -84.21 0.99 46.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.506 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.63 -42.3 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 15.1 m -69.51 -6.87 33.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.071 -178.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.89 -33.58 8.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 93' ' ' ILE . 61.5 t -75.56 -55.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.155 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.98 -39.39 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.841 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' ' 87' ' ' SER . 7.0 t-20 -52.99 -48.28 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.321 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 m -62.8 -45.26 93.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.83 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -56.51 -50.88 71.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.75 -44.52 97.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.46 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.43 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.18 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.107 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.05 -45.25 95.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 99.2 mtt180 -58.96 -50.5 73.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.85 -55.06 39.21 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.794 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.6 m -49.98 -40.61 44.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.064 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 56.5 mmm -60.12 -51.89 67.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.759 0.314 . . . . 0.0 111.731 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.3 ptm -77.56 -24.63 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.365 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -76.91 -19.29 57.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.581 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.488 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -75.05 -63.81 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 8.9 t 168.97 -24.72 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.726 0.641 . . . . 0.0 111.139 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.56 20.64 13.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.924 -172.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.5 p 51.85 -165.91 0.05 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.247 0.619 . . . . 0.0 111.237 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.27 97.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.07 161.72 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.292 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -91.02 -28.82 17.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.79 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.152 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -58.53 -55.77 30.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 110.581 -177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -18.05 60.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.736 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.25 -48.88 5.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.41 -43.1 91.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 122.867 0.467 . . . . 0.0 111.368 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 120' ' ' VAL . 74.5 t -59.29 -44.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.681 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -45.86 90.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.558 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 118' ' ' GLN . 6.5 tp60 -61.78 -45.42 93.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.88 -48.81 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.424 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 116' ' ' VAL . 69.7 t -56.16 -39.75 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.163 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -75.2 -48.64 22.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.918 0.39 . . . . 0.0 111.211 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -69.31 -34.9 75.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.629 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.38 -4.04 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.947 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.4 t -103.43 -65.34 1.01 Allowed 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 121.203 0.525 . . . . 0.0 109.715 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.588 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.386 -176.267 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.11 15.58 1.48 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -71.34 -32.48 68.6 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.287 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -139.41 140.64 26.27 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.065 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.618 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.3 Cg_endo -53.58 -46.94 30.06 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.719 2.946 . . . . 0.0 113.798 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -62.93 -37.22 86.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.019 -175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.64 55.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.161 0.505 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -45.44 68.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.949 -176.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.529 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -61.54 -34.44 75.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.3 m -58.92 -54.15 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -28.72 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.145 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.7 m -69.18 -46.75 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.73 -32.38 65.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.651 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.512 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.3 m-20 -66.24 -31.62 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 110.338 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD22 HD23 ' A' ' 97' ' ' LEU . 45.4 tp -63.06 -45.91 89.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.651 176.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.5 -48.08 90.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 12.0 pt20 -65.93 -31.56 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.722 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 t -75.53 -46.95 29.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.43 46.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 0.0 112.025 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -71.46 -17.9 62.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.391 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -112.94 23.1 13.76 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.564 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -80.72 -34.17 34.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.681 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.23 75.84 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -97.35 -41.48 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 111.207 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -72.25 164.67 25.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.341 0.591 . . . . 0.0 111.43 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 37' ' ' MET . 18.4 p -90.21 168.88 11.59 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.212 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -30.93 69.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.612 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -56.03 6.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.211 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 40' ' ' MET . 93.2 mt-30 -55.65 -43.33 76.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.663 -177.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 33' ' ' THR . 74.8 mtm -62.43 -41.87 99.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.459 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.56 -35.72 39.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.853 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.1 m-20 -67.43 -25.4 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 69.5 mmm -62.47 -33.76 75.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.109 0.48 . . . . 0.0 110.283 172.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.36 84.93 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.132 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.9 ptp -70.6 -21.95 62.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.894 0.378 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.3 tmm? -65.18 -52.23 56.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.83 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.218 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.44 ' HA ' HD21 ' A' ' 48' ' ' ASN . 17.7 t70 -58.93 -42.93 90.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.39 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 31.4 t -66.87 -39.99 87.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.752 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 43' ' ' MET . 63.9 t -57.2 -51.5 68.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.685 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.529 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 11.1 p30 -70.51 -26.61 63.66 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.085 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.8 t -60.26 -50.49 73.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' SER . 55.7 mt-30 -71.02 -47.27 59.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.959 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.3 tmm? -60.6 -42.59 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.496 -176.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.16 -17.18 61.4 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.362 -177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' SER . 65.1 mttm -89.28 -21.09 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.843 0.354 . . . . 0.0 110.155 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 40.1 ttp -65.6 -45.83 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.703 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 114.87 168.3 15.75 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.129 174.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.9 134.73 8.48 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.132 2.555 . . . . 0.0 112.503 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.469 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 47.2 m-80 53.55 63.39 8.12 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.498 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HG3' ' O ' ' A' ' 55' ' ' GLY . 1.9 Cg_endo -86.44 170.77 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.124 2.549 . . . . 0.0 112.072 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.492 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 Cg_exo -62.83 139.76 76.24 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.569 2.179 . . . . 0.0 112.166 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.16 -37.04 76.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -66.74 -20.33 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.587 0.232 . . . . 0.0 111.183 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -83.81 -38.78 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 109.843 175.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 59' ' ' PRO . 16.1 mt -67.83 -39.18 83.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.702 0.763 . . . . 0.0 109.802 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -78.44 3.91 14.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.243 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.67 -9.39 12.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.544 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mmm -74.16 -23.33 59.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 109.868 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -60.07 -29.21 68.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.404 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.481 ' HA ' HD13 ' A' ' 119' ' ' LEU . 25.9 m -75.75 -40.89 54.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.31 76.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.435 ' O ' HG23 ' A' ' 74' ' ' VAL . 27.2 ptm -69.31 -43.0 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.752 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.734 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.47 98.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 111.0 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.94 -35.27 79.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 70' ' ' MET . 63.5 t -74.25 -38.15 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.05 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -53.65 -57.02 12.28 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.308 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -31.19 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.932 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.0 t -70.73 -37.65 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.45 -7.54 38.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.459 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.6 m -94.52 6.98 47.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.514 0.673 . . . . 0.0 110.278 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -96.67 126.47 43.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -57.52 150.41 60.46 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.501 2.134 . . . . 0.0 111.42 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -43.6 -49.56 7.73 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.554 2.836 . . . . 0.0 114.064 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -67.12 -41.85 85.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.39 . . . . 0.0 111.468 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.83 -21.94 46.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' CE2' HG12 ' A' ' 78' ' ' VAL . 38.9 t80 -54.92 -45.45 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.355 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -57.54 -40.65 79.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.11 76.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.317 0.579 . . . . 0.0 110.448 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.1 t -69.24 -50.08 55.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.481 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -44.47 96.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.024 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.17 -41.25 87.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.75 0.31 . . . . 0.0 110.648 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -62.05 -49.74 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.653 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 89' ' ' VAL . 50.8 mm -56.75 -49.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -63.32 -42.14 99.29 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.187 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 79.8 m -66.66 -41.45 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.687 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.513 HD23 HD22 ' A' ' 22' ' ' LEU . 1.6 tm? -56.73 -39.52 74.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -178.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 83.1 mtt-85 -60.64 -58.63 7.64 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 111.164 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -65.07 -38.78 91.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.368 -176.318 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.5 m -57.66 -43.11 84.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 37.2 mmm -60.58 -43.31 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.54 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.479 ' HA ' ' HA ' ' A' ' 107' ' ' SER . 3.0 ppp? -82.94 -24.48 33.0 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.48 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.448 HE21 ' HB2' ' A' ' 103' ' ' GLN . 2.4 mt-30 -78.31 -3.58 43.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.12 176.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.47 -83.64 0.1 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 105' ' ' THR . 6.0 t 166.47 93.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 122.592 1.187 . . . . 0.0 108.831 -173.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 142.77 -11.84 2.4 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 102' ' ' MET . 25.3 p 75.37 165.61 0.27 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.852 -1.174 . . . . 0.0 111.022 174.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -76.69 93.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.936 0.874 . . . . 0.0 111.22 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.18 148.46 44.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.165 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -89.04 -17.66 28.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.879 -173.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.34 -49.86 5.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 0.0 110.932 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.73 -47.82 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.14 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.2 p -59.93 -48.61 81.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -57.0 -45.71 82.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.246 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -62.77 -53.12 59.25 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.715 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 120' ' ' VAL . 4.7 p -65.5 -36.04 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.526 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 3.1 mmt -60.08 -52.56 64.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.39 174.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -55.03 -47.74 74.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.669 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 68' ' ' THR . 13.1 mt -66.65 -47.23 73.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.232 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.8 t -56.16 -44.65 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.119 0.485 . . . . 0.0 110.688 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.29 -45.68 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.668 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -85.64 -0.65 55.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 p -113.47 -52.56 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.461 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.732 -176.007 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.9 tp . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.61 18.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 p -89.4 -4.6 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 0.0 110.469 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 24.4 t-20 -143.69 115.19 5.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.898 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.19 -53.4 7.19 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.274 2.65 . . . . 0.0 113.378 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.76 -38.7 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.653 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 11' ' ' ASN . . . -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.677 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.38 86.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.178 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.565 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -63.91 -30.75 71.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.318 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -59.05 -52.46 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.31 69.81 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.26 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -64.03 -45.95 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.445 . . . . 0.0 110.418 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -68.19 -34.99 77.31 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.538 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 74.7 m-20 -62.92 -36.03 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.709 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.42 -50.39 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.845 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.538 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 1.5 pp0? -67.16 -37.99 84.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.883 -176.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -66.2 -43.6 86.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.271 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.362 . . . . 0.0 110.943 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -76.15 -27.41 57.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.086 0.469 . . . . 0.0 110.356 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 4.8 mmp_? -102.41 11.48 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -70.51 -62.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.899 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.71 34.19 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.04 -30.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.651 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 56.1 mt -84.53 178.51 7.69 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.717 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 37' ' ' MET . 8.9 t -112.73 163.8 14.14 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 0.0 110.498 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.5 -46.07 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.739 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' H ' HG23 ' A' ' 33' ' ' THR . 93.9 mt-30 -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.011 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.4 mtt -68.92 -26.28 65.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.99 -39.78 69.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.143 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 42' ' ' MET . 27.9 m-20 -65.11 -28.57 69.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.04 -30.95 69.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.606 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 -49.36 55.85 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.677 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.5 ptp -67.81 -27.09 66.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.9 0.381 . . . . 0.0 110.547 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.503 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.9 tmm? -64.17 -52.28 59.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.21 78.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.017 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.408 ' HA ' HD21 ' A' ' 48' ' ' ASN . 7.9 t70 -54.02 -47.8 71.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.92 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -69.62 -32.17 70.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.146 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 43' ' ' MET . 84.5 t -62.91 -49.97 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.798 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.565 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 6.4 p30 -64.57 -38.56 91.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.5 t -57.54 -43.51 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 110.473 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.44 -26.06 60.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.204 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -77.53 -38.35 48.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 65.8 mt-30 -65.63 -36.17 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.726 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.54 19.77 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.142 0.496 . . . . 0.0 110.896 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.528 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 53.5 ttm -78.62 -38.5 39.68 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.49 148.71 17.48 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.036 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.18 130.78 23.48 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.771 2.314 . . . . 0.0 111.5 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 53.01 68.53 2.93 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-O 121.441 0.638 . . . . 0.0 109.282 -172.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.528 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 73.9 Cg_endo -71.5 149.87 56.71 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.257 2.638 . . . . 0.0 114.243 -166.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 11.0 Cg_exo -70.83 152.71 63.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.02 2.48 . . . . 0.0 112.32 175.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -48.45 -56.49 8.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.685 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -59.81 -23.4 63.29 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' MET . 14.8 mmm180 -71.87 -31.98 67.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.086 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.502 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.0 mp -83.73 -38.28 21.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.405 0.622 . . . . 0.0 109.981 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -68.52 -17.5 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.39 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.73 -10.85 28.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 88.9 mmm -80.43 -24.83 39.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 111.265 -174.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -67.55 -24.76 65.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.416 ' HA ' HD13 ' A' ' 119' ' ' LEU . 24.6 m -89.3 -37.49 14.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.156 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.37 57.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.476 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.67 -43.32 80.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.14 0.495 . . . . 0.0 110.626 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.9 80.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.64 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.23 -24.96 20.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.786 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 p -76.48 -20.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 124' ' ' SER . . . -64.17 -20.58 66.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.477 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.621 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.16 -30.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.1 t -74.71 -41.35 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.78 -20.28 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.348 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -100.06 9.79 42.3 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.47 0.653 . . . . 0.0 110.514 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.0 m -91.54 134.18 29.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.324 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.69 131.58 46.65 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.601 2.201 . . . . 0.0 111.617 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.03 -36.32 11.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.733 2.955 . . . . 0.0 114.114 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.36 -35.01 79.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.81 0.338 . . . . 0.0 111.522 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.0 m -99.16 -5.7 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.723 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -54.7 -48.31 72.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.477 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -38.55 85.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.6 78.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.187 0.517 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 93' ' ' ILE . 77.0 t -65.26 -46.44 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.681 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.9 mt -59.72 -44.28 93.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.52 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -59.5 -41.2 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.035 0.445 . . . . 0.0 110.657 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.9 m -66.18 -51.12 60.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.067 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.0 mm -52.84 -47.38 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.686 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.415 ' HA2' ' SD ' ' A' ' 117' ' ' MET . . . -59.7 -46.71 93.57 Favored Glycine 0 C--N 1.33 0.226 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.875 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.99 -47.17 86.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.943 0.402 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.5 m -62.63 -44.69 95.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.32 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.571 HD12 HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -62.71 -40.96 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.128 0.489 . . . . 0.0 109.985 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -51.05 71.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.852 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.17 -39.41 49.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.037 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.436 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 29.7 p -55.77 -39.53 71.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.53 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mmm -53.05 -51.78 60.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.8 ptm -79.96 -25.8 40.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.052 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.73 -22.58 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.018 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.566 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -73.69 -67.14 0.62 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.659 175.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 160.41 -14.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.877 0.736 . . . . 0.0 110.793 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.38 12.75 63.9 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.911 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 m 63.12 176.42 0.15 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.123 0.487 . . . . 0.0 111.473 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.65 108.45 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.176 0.988 . . . . 0.0 110.67 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -75.89 174.13 10.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.097 -1.411 . . . . 0.0 110.545 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -124.36 6.94 8.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.694 0.283 . . . . 0.0 110.946 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.689 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -109.12 -58.64 2.0 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.032 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -58.31 -49.04 78.59 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.262 0.553 . . . . 0.0 110.394 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.571 HG23 HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -60.13 -29.15 68.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.612 178.166 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 111' ' ' ALA . 5.9 t30 -77.1 -44.6 29.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.577 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 35.5 mm-40 -51.91 -53.08 44.99 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.92 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 120' ' ' VAL . 80.4 t -56.94 -48.94 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.664 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.415 ' SD ' ' HA2' ' A' ' 94' ' ' GLY . 53.4 mmm -76.36 13.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -119.91 -43.3 2.56 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 167.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 68' ' ' THR . 18.9 mt -64.27 -41.7 96.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 116' ' ' VAL . 87.1 t -57.92 -35.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.713 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -72.86 -47.44 46.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.507 0.67 . . . . 0.0 110.745 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.8 ttp -71.92 -31.83 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.242 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -90.97 10.52 26.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.629 0.252 . . . . 0.0 111.443 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.453 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 24.9 p -121.42 -67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.358 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.647 177.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.442 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.7 tt . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -82.7 57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.354 0.597 . . . . 0.0 109.844 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 -45.9 4.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.799 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -138.69 137.61 20.32 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.443 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 80.6 Cg_exo -42.07 -54.43 2.98 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 124.155 3.237 . . . . 0.0 114.109 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.29 -45.44 65.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.664 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.86 41.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.467 -172.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.4 87.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.938 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -65.06 -29.27 70.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.256 -178.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -58.81 -53.29 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.3 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.442 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.24 -34.84 76.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.25 -176.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -63.33 -47.56 81.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.157 0.503 . . . . 0.0 110.835 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -69.35 -32.05 70.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.261 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.48 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 87.5 m-20 -66.89 -26.92 67.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 110.779 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.01 -41.32 86.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.97 -48.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.987 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.48 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.0 pp0? -64.76 -26.47 68.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.8 t -81.8 -47.22 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.817 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 1.09 38.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -100.48 -19.55 16.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.161 0.982 . . . . 0.0 108.947 176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.77 -14.58 15.49 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.943 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.0 p -61.55 -41.29 97.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.147 177.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.06 6.91 81.34 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.964 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.494 HG13 HD12 ' A' ' 32' ' ' LEU . 2.8 p -96.89 -19.17 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.974 0.416 . . . . 0.0 110.531 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.494 HD12 HG13 ' A' ' 31' ' ' VAL . 10.7 mp -86.81 165.85 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.757 175.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -88.82 168.7 12.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.662 0.268 . . . . 0.0 110.515 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.09 70.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 0.0 109.924 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.35 -55.21 9.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.723 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 40' ' ' MET . 73.8 mt-30 -56.33 -43.54 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.219 -174.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.6 ptp -68.44 -22.85 64.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.33 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -80.96 -39.86 25.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -34.26 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.394 176.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 93.2 mmm -58.5 -34.02 70.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.94 -52.21 39.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.214 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -67.38 -27.22 66.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.585 ' SD ' HG12 ' A' ' 74' ' ' VAL . 34.1 ttp -63.17 -47.79 81.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.386 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.28 88.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.838 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.31 -47.1 82.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.564 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t -56.88 -38.69 73.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -67.21 -52.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.528 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.655 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 10.7 p30 -69.08 -32.92 72.71 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.71 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.602 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 24.3 t -62.39 -48.36 80.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.092 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.57 -31.42 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.797 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.553 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.9 tmm? -74.49 -28.93 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 78.0 mt-30 -68.52 -40.28 80.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 110.264 175.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' A' ' 49' ' ' SER . 13.3 mptt -76.01 -8.95 58.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.739 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.54 ' HB3' ' O ' ' A' ' 51' ' ' MET . 31.4 ttm -73.35 -52.59 13.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.656 173.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.38 145.41 18.14 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.504 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.4 127.15 18.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.66 2.24 . . . . 0.0 111.371 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 60.75 70.56 0.94 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.28 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.447 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 61.0 Cg_endo -95.68 174.29 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.605 2.87 . . . . 0.0 113.083 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.84 142.17 68.31 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.233 1.955 . . . . 0.0 111.578 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -52.75 -36.09 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.631 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -66.3 -24.24 66.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' A' ' 66' ' ' MET . 8.2 mmt180 -70.64 -33.11 70.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.995 0.426 . . . . 0.0 110.211 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' CD1' ' HG2' ' A' ' 58' ' ' PRO . 6.0 mp -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.235 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.9 ttt85 -79.61 -11.61 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.109 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.36 -10.11 45.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.965 0.412 . . . . 0.0 111.333 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.0 mmm -89.45 -30.87 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.4 -44.34 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.854 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 m -63.03 -47.54 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.838 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -63.29 -47.95 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.759 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -68.62 -41.85 78.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.0 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.137 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.55 49.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.1 mm-40 -76.41 -45.55 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.499 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.585 HG12 ' SD ' ' A' ' 43' ' ' MET . 32.9 m -67.75 -24.64 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.326 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.47 -28.49 69.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.721 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -45.2 91.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.674 -176.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 74' ' ' VAL . 34.2 m -72.87 -34.44 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.798 0.332 . . . . 0.0 111.037 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.68 -39.11 75.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.589 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.34 -6.33 34.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.418 . . . . 0.0 111.46 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -91.57 -7.08 51.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.366 0.603 . . . . 0.0 110.133 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.2 m -94.91 130.8 31.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.644 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.5 157.5 46.01 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.76 2.306 . . . . 0.0 111.468 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -44.15 -49.01 9.02 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.362 2.708 . . . . 0.0 114.387 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.07 -36.56 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 m -90.38 -14.17 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.176 0.512 . . . . 0.0 110.467 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.4 -56.56 20.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.582 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -65.91 -27.58 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.324 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.93 82.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.237 0.541 . . . . 0.0 109.834 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 93' ' ' ILE . 92.0 t -72.06 -40.7 67.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.982 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.7 -52.55 63.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.653 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -57.17 -40.64 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.588 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.3 m -62.25 -41.92 98.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.788 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 49.2 mm -58.35 -49.68 81.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.26 -36.13 84.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.635 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.87 -45.92 73.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.701 0.286 . . . . 0.0 110.885 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.87 7.0 22.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.309 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -111.0 -21.42 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 176.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 108' ' ' VAL . 38.2 ptt180 -79.86 -48.69 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.479 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -38.75 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.383 . . . . 0.0 111.431 -176.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.6 p -56.93 -32.63 66.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.49 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.427 ' HB3' ' O ' ' A' ' 107' ' ' SER . 58.1 mmm -62.39 -46.79 87.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.529 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.6 ptp -76.37 -30.94 57.77 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.22 -13.5 62.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 175.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.96 -64.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.036 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.4 t -179.88 -49.9 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 34.16 2.85 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.028 -0.606 . . . . 0.0 114.408 -167.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 101' ' ' MET . 21.9 m 54.6 -164.41 0.11 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 111.321 178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 98' ' ' ARG . 32.7 t -94.91 89.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.41 133.47 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.118 -174.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -74.1 -21.36 59.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.996 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.06 -47.06 5.65 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.312 -0.155 . . . . 0.0 110.805 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.2 -61.62 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.312 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.0 p -58.61 -37.96 76.98 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.095 0.474 . . . . 0.0 110.853 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.52 -50.53 64.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.577 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.28 -43.51 81.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.768 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 120' ' ' VAL . 79.6 t -59.12 -48.38 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.274 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.8 mmt -53.96 -49.5 68.61 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -57.1 -50.04 74.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.659 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.26 -48.82 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.92 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 116' ' ' VAL . 95.3 t -55.72 -55.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.7 0.286 . . . . 0.0 110.669 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.45 -37.75 73.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.207 0.527 . . . . 0.0 111.364 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 44.6 ttp -76.37 -46.49 27.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.936 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.34 -8.05 55.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.365 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.6 m -102.39 -5.59 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.096 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.573 0.702 . . . . 0.0 110.167 177.575 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 8' ' ' ILE . 5.9 tp . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 120.954 0.406 . . . . 0.0 111.921 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -78.15 4.88 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -84.09 -2.79 57.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.72 0.295 . . . . 0.0 111.722 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -149.42 113.65 3.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.247 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 77.7 Cg_exo -51.08 -43.64 47.0 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.31 2.673 . . . . 0.0 112.988 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.58 -40.6 97.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.604 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.36 -44.97 64.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.847 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.9 79.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.464 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.269 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.2 m -59.57 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.265 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -30.22 67.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.329 -177.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -65.24 -45.69 83.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.573 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.76 -37.47 82.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 95.2 m-20 -66.0 -33.1 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.089 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.88 -44.39 96.22 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -51.77 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.792 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.6 pp0? -63.93 -32.06 73.46 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.869 0.366 . . . . 0.0 110.687 -175.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.39 -51.07 56.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.728 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 68.6 m -67.95 -15.21 63.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.503 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -114.21 8.6 16.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -71.71 -46.84 57.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.139 0.495 . . . . 0.0 110.917 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.76 4.08 73.2 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.86 -42.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.307 0.575 . . . . 0.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 ' HG2' ' A' ' 36' ' ' GLN . 7.2 mp -86.17 157.79 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.997 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -80.81 164.63 22.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.715 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.1 68.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.677 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -79.57 -44.9 20.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.802 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.419 ' HG2' HD23 ' A' ' 32' ' ' LEU . 62.0 tt0 -64.61 -40.88 96.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.021 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.728 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 57.0 mtm -70.59 -39.84 73.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.854 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -71.64 -32.13 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.82 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.6 t70 -61.37 -32.52 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mtp -64.95 -29.28 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.52 -41.93 93.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.079 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.498 ' HA ' ' OD2' ' A' ' 45' ' ' ASP . 20.7 ptp -80.7 -17.58 50.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.181 0.515 . . . . 0.0 110.148 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 73' ' ' GLU . 15.0 tmm? -66.52 -34.96 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.289 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.37 75.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.444 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.498 ' OD2' ' HA ' ' A' ' 42' ' ' MET . 20.5 m-20 -63.47 -22.22 66.76 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.994 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.658 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.3 t -79.34 -46.68 17.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.69 -52.43 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.482 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.408 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 17.6 p30 -69.01 -30.19 68.53 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -63.64 -46.46 85.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.957 0.408 . . . . 0.0 110.037 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 46' ' ' SER . 58.5 mt-30 -71.14 -36.84 72.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.467 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 56.2 ttp -62.18 -39.2 91.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.114 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.4 -28.36 56.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.647 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 59.6 pttt -81.92 -12.75 58.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.304 0.573 . . . . 0.0 109.772 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.696 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 60.8 ttp -79.03 -33.74 44.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.445 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.96 146.35 12.38 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.926 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.34 19.61 0.92 Allowed 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.875 2.383 . . . . 0.0 111.927 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -166.5 61.36 0.65 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HG2' HD11 ' A' ' 63' ' ' LEU . 97.7 Cg_endo -91.25 162.08 3.74 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.206 2.604 . . . . 0.0 114.434 -166.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 2.9 Cg_exo -75.19 153.04 40.59 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.115 2.543 . . . . 0.0 111.791 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -59.04 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -65.53 -23.17 66.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.635 0.255 . . . . 0.0 111.319 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.696 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 29.4 mmt180 -70.92 -44.23 66.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.95 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.2 mp -62.97 -36.78 84.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.185 -175.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.34 -18.38 64.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.59 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.74 -16.01 16.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.7 mmm -72.39 -27.49 62.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.351 0.596 . . . . 0.0 110.206 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -59.85 -51.36 70.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.407 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.7 m -63.64 -39.8 95.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.758 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.83 -46.63 87.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.9 ttm -64.14 -48.17 77.07 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.226 0.536 . . . . 0.0 109.857 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.85 73.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.014 -176.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.22 75.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.238 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HB3' ' HG2' ' A' ' 43' ' ' MET . 7.7 mm-40 -73.65 -42.28 61.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.512 . . . . 0.0 109.934 178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.21 -28.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.56 -31.32 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.171 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -60.67 -53.96 51.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.275 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 80' ' ' THR . 34.5 m -67.7 -29.91 46.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.977 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.7 t -72.41 -43.47 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.803 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -21.99 66.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 77' ' ' VAL . 0.7 OUTLIER -79.36 -5.91 55.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 111.122 -177.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 15.1 m -90.93 128.94 45.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.896 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 81' ' ' SER . 24.0 Cg_exo -64.61 150.35 88.35 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.549 2.166 . . . . 0.0 111.285 173.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.03 -29.05 53.01 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.133 2.556 . . . . 0.0 112.711 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.04 -28.63 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.817 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 m -122.01 -1.56 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.924 0.392 . . . . 0.0 110.814 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -62.07 -46.01 91.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.356 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -29.71 69.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.525 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.55 -36.46 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.1 t -68.85 -35.67 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.895 177.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -58.2 7.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.55 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -66.74 -36.33 82.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.14 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.7 m -60.54 -51.16 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.0 mm -57.25 -49.54 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -44.88 96.97 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.012 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.76 -51.56 54.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.685 0.279 . . . . 0.0 111.066 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.07 -38.18 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.866 -176.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tt -73.04 -39.38 66.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 110.402 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.449 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.1 ttm180 -64.57 -35.56 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 111.133 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 25.7 mm-40 -74.91 -58.09 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.056 0.455 . . . . 0.0 110.314 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.479 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 30.8 p -54.84 -35.15 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.472 -173.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 107' ' ' SER . 25.1 ttt -56.46 -47.62 78.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.144 0.278 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.42 -13.82 45.16 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.629 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.479 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.3 OUTLIER -67.33 -26.49 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.707 173.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.561 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -70.53 -70.23 0.31 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.3 t 164.11 -19.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.538 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.26 16.11 50.31 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.443 -176.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 101' ' ' MET . 55.8 m 62.28 179.89 0.13 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.013 0.435 . . . . 0.0 110.969 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.483 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 2.8 p -116.67 102.32 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.687 0.756 . . . . 0.0 109.716 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.92 145.05 47.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.221 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -75.62 -23.82 56.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.688 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.31 8.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.305 -0.158 . . . . 0.0 110.794 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.1 -57.13 12.23 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.576 0.547 . . . . 0.0 111.091 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.6 p -58.49 -41.81 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.222 0.534 . . . . 0.0 110.856 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -65.0 -47.03 78.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.99 -50.51 71.79 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 122.795 0.438 . . . . 0.0 110.84 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 120' ' ' VAL . 95.3 t -59.77 -43.6 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.83 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -50.51 69.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.412 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -67.77 -42.05 82.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.51 -50.35 74.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.712 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 116' ' ' VAL . 93.1 t -56.42 -42.27 74.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.756 0.313 . . . . 0.0 110.861 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.485 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . 0.2 OUTLIER -67.73 -50.65 56.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.569 178.7 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.4 tmm? -63.48 -24.69 67.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.768 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.2 mt -93.18 5.38 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -131.79 -59.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.972 0.415 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.738 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.576 HD13 ' SD ' ' A' ' 18' ' ' MET . 12.3 tt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.556 ' HB2' HD22 ' A' ' 63' ' ' LEU . 92.4 m95 -71.59 -4.23 25.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -84.22 -6.89 59.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.758 0.314 . . . . 0.0 110.92 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -130.42 99.8 18.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 109.987 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 67.2 Cg_exo -51.66 -43.46 50.68 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.468 2.779 . . . . 0.0 113.716 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.08 -44.6 87.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.858 0.361 . . . . 0.0 110.449 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.29 70.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.823 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -62.66 -43.04 99.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.041 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.659 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.3 mmt -68.62 -29.27 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.324 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -58.73 -43.9 90.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.576 ' SD ' HD13 ' A' ' 8' ' ' ILE . 25.8 mtm -60.57 -56.0 26.59 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.511 0.672 . . . . 0.0 110.04 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -60.2 -42.32 94.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.984 -171.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.75 -41.87 91.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 110.487 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 78.9 m-20 -66.9 -35.8 80.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.21 -49.66 76.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.912 0.387 . . . . 0.0 110.321 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.38 -46.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.832 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -69.5 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.61 -175.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.43 -49.67 68.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -66.78 -26.12 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.0 t -75.4 -17.83 60.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.59 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -116.56 18.51 15.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.388 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.0 p -77.13 -44.59 29.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.367 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 -1.16 76.37 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -173.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -101.58 -36.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.861 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 19.0 mt -85.66 179.36 7.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 37' ' ' MET . 10.0 t -119.13 166.52 12.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.888 0.375 . . . . 0.0 110.669 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.59 -43.23 99.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.431 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.36 -29.07 65.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.233 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.1 mtt -68.19 -37.08 80.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.57 -38.83 77.55 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.65 -35.74 81.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.192 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.66 -37.12 86.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.8 83.42 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.593 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.64 -24.44 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -63.29 -40.99 98.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.72 91.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.024 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.95 -39.9 91.29 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -59.79 -40.37 88.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.038 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.47 -56.74 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.783 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.659 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 22.6 p30 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 t -65.48 -53.08 47.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -64.08 -36.4 83.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.887 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.551 ' SD ' ' HB3' ' A' ' 15' ' ' ALA . 46.0 ttp -64.56 -41.08 96.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.24 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -67.55 -20.33 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -99.29 3.83 46.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.256 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.433 ' HE1' ' HB3' ' A' ' 9' ' ' TRP . 11.1 ttp -77.47 -43.87 30.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.931 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.98 127.58 5.15 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.583 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.89 142.91 99.0 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 41.3 m-80 59.07 54.63 5.01 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 40.5 Cg_endo -95.84 174.36 0.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.997 2.464 . . . . 0.0 112.937 -173.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.86 155.61 53.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.443 2.095 . . . . 0.0 110.594 171.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -69.37 -14.33 62.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -172.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -68.9 -21.65 64.22 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.337 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -74.68 -50.73 16.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 110.056 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 9' ' ' TRP . 15.8 mt -63.68 -45.42 90.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.738 -176.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -60.24 -23.75 64.31 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.997 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.18 -0.82 57.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.455 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 97.2 mmm -103.07 -34.16 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.539 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -44.49 95.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.603 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.541 HG23 ' CD2' ' A' ' 119' ' ' LEU . 41.6 m -69.13 -29.21 67.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.45 . . . . 0.0 110.722 176.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.19 -50.69 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.203 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.5 ' O ' HG22 ' A' ' 74' ' ' VAL . 34.3 ttm -57.99 -47.36 83.24 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.033 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.67 -40.75 72.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.572 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.83 67.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 42.8 mm-40 -63.75 -44.38 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 70' ' ' MET . 28.7 m -76.96 -22.38 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.5 71.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.14 -41.47 92.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.51 -42.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.144 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.78 -36.77 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.888 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.51 -27.2 68.42 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.4 m -71.66 -19.25 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 111.351 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -71.57 130.33 87.48 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.513 -174.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.53 143.03 98.57 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.523 2.149 . . . . 0.0 111.094 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -31.97 76.26 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.908 2.405 . . . . 0.0 112.903 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -85.21 2.15 45.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.582 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.2 t -125.2 -10.07 7.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 109.938 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -54.78 -46.25 74.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.527 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 m -57.02 -39.15 74.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.281 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.89 64.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.043 0.449 . . . . 0.0 110.459 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 93' ' ' ILE . 77.3 t -68.57 -48.0 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.708 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -59.02 -43.52 91.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.552 -178.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -64.38 -32.83 74.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -66.11 -41.94 89.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.865 0.364 . . . . 0.0 110.2 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 89' ' ' VAL . 51.3 mm -58.8 -52.09 64.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.669 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.4 99.48 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.732 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.37 -52.73 63.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.649 0.261 . . . . 0.0 111.284 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 97.2 m -64.27 -42.94 96.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.89 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.657 0.265 . . . . 0.0 110.435 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -56.35 -53.88 52.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.816 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 9.8 pt-20 -69.75 -42.8 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.181 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.6 m -58.37 -38.96 78.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.409 ' HA ' ' HG2' ' A' ' 18' ' ' MET . 21.7 ttt -64.62 -52.56 56.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 111.263 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 19.0 ptm -74.68 -24.42 58.78 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.136 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -61.05 -28.28 68.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.891 177.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -71.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.7 t 174.91 -31.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.953 0.406 . . . . 0.0 110.957 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.64 11.09 65.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.465 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 m 63.23 -175.43 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.026 0.441 . . . . 0.0 111.196 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.417 HG23 HG21 ' A' ' 113' ' ' THR . 2.0 p -106.74 107.65 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 121.736 0.779 . . . . 0.0 110.006 -176.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -71.77 150.23 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.709 -175.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -81.17 -26.48 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.231 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -92.32 -43.26 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.701 0.286 . . . . 0.0 110.554 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.412 ' O ' HG23 ' A' ' 116' ' ' VAL . 34.3 t80 -53.92 -58.51 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.664 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.417 HG21 HG23 ' A' ' 108' ' ' VAL . 38.3 p -61.58 -40.97 96.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -65.72 -40.78 92.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.615 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.85 -50.16 69.94 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.0 t -54.09 -52.69 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.142 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 49.2 mmm -73.11 7.1 2.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -107.81 -54.19 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.541 ' CD2' HG23 ' A' ' 68' ' ' THR . 9.8 mp -70.45 -36.07 73.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.126 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.14 -36.82 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.194 0.521 . . . . 0.0 110.461 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -78.8 -49.31 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.397 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 59.8 ttp -66.56 -34.16 77.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.324 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.3 mt -83.44 4.72 26.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.122 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.3 p -130.37 -68.2 0.7 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.914 0.388 . . . . 0.0 110.169 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.865 -179.609 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.2 tt . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.394 0.616 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -89.05 9.14 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.701 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -36.68 83.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.836 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.67 134.42 23.51 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.302 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.1 -38.99 93.2 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.423 2.748 . . . . 0.0 113.133 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.87 -43.49 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.256 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.25 59.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -57.27 -55.91 28.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.257 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.413 ' SD ' ' HE2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -62.05 -29.41 70.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.12 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.531 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 0.0 OUTLIER -70.6 -28.85 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.473 -175.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -71.41 -42.77 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.644 0.259 . . . . 0.0 110.727 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.16 -44.79 75.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.676 0.274 . . . . 0.0 110.89 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.71 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.25 -48.69 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.77 -47.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.035 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.51 -31.26 72.4 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.48 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -66.93 -47.73 70.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.213 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.58 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.512 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.2 t -66.86 -21.58 66.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -112.06 11.81 20.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -75.51 -45.79 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.23 4.47 86.39 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.52 -41.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.096 0.474 . . . . 0.0 110.551 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mp -83.02 157.94 22.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.415 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 p -77.02 168.3 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.92 -24.52 67.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 110.236 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.15 -50.28 10.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.611 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -52.41 -44.31 65.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.818 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.9 mtm -66.19 -35.31 80.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.195 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.49 -34.74 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.481 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.19 -39.53 82.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 0.0 110.091 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mtp -70.09 -33.98 72.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.52 -48.86 84.1 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.258 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -72.03 -23.37 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 110.535 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.09 -42.76 96.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.772 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.59 82.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -63.21 -41.7 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.041 0.448 . . . . 0.0 110.273 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.5 t -62.08 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.549 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.43 -38.94 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.671 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -49.94 -54.29 20.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.134 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -63.11 -41.19 99.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.687 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 49.9 mt-30 -72.97 -32.72 65.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.704 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.413 ' HE2' ' SD ' ' A' ' 16' ' ' MET . 15.9 tmm? -72.08 -41.77 66.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.874 0.369 . . . . 0.0 110.455 176.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.77 -31.7 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.518 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 62.7 pttt -72.02 -15.84 62.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.001 0.429 . . . . 0.0 110.395 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 35.9 ttp -82.25 -44.02 16.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.178 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 -177.03 53.5 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.512 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 152.55 51.61 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.351 2.701 . . . . 0.0 112.426 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.404 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 94.1 m-20 51.7 64.83 7.22 Favored Pre-proline 0 N--CA 1.466 0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.3 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' A' ' 54' ' ' MET . 4.5 Cg_exo -77.74 128.57 9.44 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.799 2.333 . . . . 0.0 112.614 -176.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.15 163.25 29.64 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.535 2.157 . . . . 0.0 111.447 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -55.65 -40.84 72.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -68.38 -11.8 60.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.532 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 23.0 mmt180 -83.12 -46.35 12.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.284 -0.26 . . . . 0.0 110.61 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.468 HD22 ' H ' ' A' ' 63' ' ' LEU . 2.2 mm? -64.64 -33.99 77.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.192 0.52 . . . . 0.0 109.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -66.13 -23.78 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.886 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.27 -34.24 20.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.845 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.29 -38.7 81.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.19 -40.17 92.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.479 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 m -76.89 -32.75 57.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.49 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.3 -46.03 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.5 ttm -69.41 -50.56 44.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.359 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.67 -43.17 80.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.649 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.18 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 58.6 mm-40 -76.38 -43.39 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 77' ' ' VAL . 22.7 m -75.16 -17.62 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.759 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.88 55.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.273 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.8 -49.98 75.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 74' ' ' VAL . 11.2 m -69.16 -27.74 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 110.728 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 120' ' ' VAL . 61.1 t -73.59 -38.62 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.197 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.78 -28.45 69.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.675 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 m -72.67 -10.74 60.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.068 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.4 m -93.6 114.89 64.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 84' ' ' GLN . 72.1 Cg_endo -77.07 167.47 24.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.624 2.216 . . . . 0.0 112.129 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -68.3 29.86 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.278 2.652 . . . . 0.0 113.572 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' A' ' 82' ' ' PRO . 75.9 mt-30 -127.55 -2.9 6.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.12 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -152.94 14.95 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 111.059 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.41 -50.75 43.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.485 -176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.674 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 38.8 m -76.57 8.3 3.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.25 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.98 -41.14 6.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 93' ' ' ILE . 94.5 t -76.97 -50.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.17 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -38.97 76.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.239 0.542 . . . . 0.0 109.778 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.674 ' HB2' ' O ' ' A' ' 87' ' ' SER . 8.9 t-20 -56.37 -49.01 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.23 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 m -64.33 -42.81 96.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.073 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -58.2 -56.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.9 -35.77 92.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.717 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -70.57 -54.97 9.99 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 111.149 -177.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.53 -29.9 70.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.995 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -66.76 -54.45 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.954 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 3.2 ptp180 -61.47 -41.23 96.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.486 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 40.3 mm-40 -58.99 -56.07 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 111.075 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.531 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 23.4 m -56.87 -35.45 68.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.711 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.7 mmm -54.47 -54.3 42.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.54 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.1 ptm -78.28 -18.26 55.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.399 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -77.97 -18.7 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.57 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.02 -62.47 1.66 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.2 t 165.65 -20.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.67 0.606 . . . . 0.0 111.25 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.76 15.93 34.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.76 -173.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.2 p 52.25 -172.16 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.447 0.699 . . . . 0.0 111.768 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.37 91.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.954 0.407 . . . . 0.0 110.004 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.59 111.02 9.37 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.42 HD22 ' N ' ' A' ' 110' ' ' ASN . 0.9 OUTLIER -65.29 -38.1 89.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.253 -174.625 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.67 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.311 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 116' ' ' VAL . 88.6 t80 -60.54 -55.24 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 p -58.43 -42.87 88.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.525 0.203 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.65 -43.17 99.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.361 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.71 -42.17 86.8 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-O 120.699 0.285 . . . . 0.0 110.58 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 120' ' ' VAL . 98.6 t -58.83 -51.75 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.057 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.432 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.7 mmt -53.67 -47.11 70.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.796 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -54.29 -57.34 11.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.34 -49.88 72.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.051 -176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 116' ' ' VAL . 79.5 t -53.53 -48.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.688 0.28 . . . . 0.0 111.421 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -68.7 -43.77 75.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.82 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 47.7 ttp -66.68 -30.52 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.994 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.19 5.24 42.45 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 p -135.34 -69.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.717 -177.857 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 tt . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -70.94 -5.37 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.289 0.495 . . . . 0.0 111.034 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -18.6 64.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 175.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -130.53 103.79 16.21 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.875 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.9 -35.71 71.83 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.842 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.84 -43.87 97.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.383 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.21 -43.28 74.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.142 0.496 . . . . 0.0 110.733 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -63.52 -41.45 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.001 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -69.4 -37.37 77.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.173 177.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.9 m -59.29 -48.47 81.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.386 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -64.28 -36.59 84.58 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.091 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -79.74 -34.28 40.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.787 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.515 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 81.4 m-20 -68.37 -23.91 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.9 -37.71 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.73 -46.18 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.77 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -68.49 -35.36 77.42 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.881 -175.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.81 -45.89 70.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.352 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -69.44 -24.19 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.655 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.1 t -70.18 -19.68 63.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -113.42 21.95 14.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.265 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.2 p -82.69 -43.6 16.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.261 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.63 12.57 71.98 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.95 -43.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.569 -0.315 . . . . 0.0 111.241 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 49.8 mt -77.77 173.67 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.276 0.56 . . . . 0.0 111.675 -174.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -96.65 169.49 9.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.349 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 -28.72 68.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.503 . . . . 0.0 109.764 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.15 -52.39 23.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.945 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 40' ' ' MET . 77.2 mt-30 -57.45 -49.08 77.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.894 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.655 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.0 mtm -61.48 -37.26 82.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.64 -38.31 29.41 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.753 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.33 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.379 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.2 mtp -60.31 -36.24 77.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.145 0.497 . . . . 0.0 110.624 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.17 -24.08 76.83 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.721 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.7 mtm -85.07 -31.81 23.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.397 0.142 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 1.5 ptt? -70.22 -33.5 71.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.43 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -61.3 -28.84 69.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.224 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.21 -46.46 88.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.1 m -64.77 -28.07 69.32 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.937 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.39 -54.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 12.4 p30 -70.93 -28.25 64.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.178 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -59.82 -42.77 94.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.056 0.455 . . . . 0.0 109.932 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.94 -30.66 56.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.706 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.489 ' O ' ' HB3' ' A' ' 54' ' ' MET . 52.2 ttp -70.16 -34.45 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 49.1 mt-30 -66.61 -27.65 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 110.307 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -89.18 10.79 20.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.624 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.711 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 39.4 ttm -89.49 -44.94 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.914 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.39 166.92 20.29 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.171 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.6 20.05 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.174 2.583 . . . . 0.0 112.55 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -167.51 84.69 0.8 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.711 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 37.7 Cg_endo -66.66 123.73 11.45 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 123.15 2.567 . . . . 0.0 114.347 -170.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.37 157.33 33.02 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.908 2.405 . . . . 0.0 110.515 167.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -59.11 -32.5 69.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -70.25 -12.78 61.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.255 -178.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.12 -43.18 12.46 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.52 -43.92 97.99 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -30.51 71.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.885 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.8 -43.87 12.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 95.8 mmm -63.98 -36.46 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -172.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -64.61 -34.93 79.42 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.492 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -84.07 -39.08 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.952 0.405 . . . . 0.0 110.353 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.38 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -72.33 -43.32 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.98 -32.64 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.45 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.61 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.523 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -76.06 -30.95 58.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.5 m -74.4 -23.39 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.41 -18.69 59.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.017 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -61.2 -49.29 77.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.14 -24.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.714 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 86' ' ' TYR . 23.3 t -78.57 -30.6 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.171 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.78 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -80.34 -0.7 37.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.346 0.594 . . . . 0.0 110.369 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -101.58 123.27 44.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.22 147.78 74.23 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.669 2.246 . . . . 0.0 111.838 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.03 -39.19 25.19 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.574 2.849 . . . . 0.0 114.117 -175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.51 -24.65 60.18 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m -102.63 -8.79 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.382 0.611 . . . . 0.0 109.988 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.525 ' CE2' HG12 ' A' ' 78' ' ' VAL . 41.4 t80 -60.1 -43.79 95.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.389 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 m -56.09 -35.95 67.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.807 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.07 -36.49 64.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.168 0.509 . . . . 0.0 110.212 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.24 -45.31 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.589 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 90' ' ' LEU . 1.6 tm? -57.54 -50.12 74.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.734 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -60.49 -37.13 80.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -61.16 -49.98 75.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.48 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mm -59.07 -48.34 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.589 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.41 -47.76 89.53 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 113.005 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.29 69.68 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.944 0.402 . . . . 0.0 111.003 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.11 -38.06 89.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.641 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.98 -43.99 94.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.514 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -57.04 -56.27 23.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 102' ' ' MET . 9.8 pt-20 -63.77 -40.78 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.544 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.7 m -58.16 -31.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.98 -40.47 83.12 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.823 0.344 . . . . 0.0 110.794 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 14.7 ptm -83.08 -19.32 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.507 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -71.98 -21.25 61.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.087 0.47 . . . . 0.0 109.857 172.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.48 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -82.04 -69.18 0.64 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.327 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.1 t 173.37 -24.15 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.376 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.06 7.26 71.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.906 -172.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.6 t 63.22 -165.71 0.24 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.913 0.356 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.4 t -106.76 102.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.06 160.03 32.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.232 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -117.76 2.05 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -173.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.48 -49.89 2.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.672 0.273 . . . . 0.0 110.477 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 116' ' ' VAL . 66.3 t80 -60.57 -61.6 2.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.677 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -30.68 68.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.29 0.567 . . . . 0.0 110.913 -177.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.514 ' O ' ' HB2' ' A' ' 117' ' ' MET . 35.3 t30 -74.04 -46.22 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.24 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.52 -31.29 65.2 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 122.274 -0.266 . . . . 0.0 110.59 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 120' ' ' VAL . 53.7 t -59.49 -43.95 91.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 170.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.514 ' HB2' ' O ' ' A' ' 114' ' ' ASN . 2.9 mmt -54.11 -51.12 65.22 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 174.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.88 -42.06 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.698 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.99 -48.76 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.516 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 116' ' ' VAL . 95.4 t -56.49 -42.87 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.719 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.462 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 49.1 mttt -60.97 -46.43 90.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.194 178.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -82.19 -26.49 33.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.429 -173.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -93.03 15.26 15.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.726 0.298 . . . . 0.0 111.474 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 p -123.66 -64.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.373 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.39 -177.75 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' ILE . 5.1 tp . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -79.85 29.47 0.26 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 111.244 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.85 -42.29 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.09 0.471 . . . . 0.0 111.348 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -116.49 121.06 33.78 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.237 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.716 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.9 Cg_endo -53.87 -39.2 85.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.935 2.423 . . . . 0.0 112.524 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -65.8 -41.76 91.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.602 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.94 66.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.009 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.24 91.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.663 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -61.99 -39.22 91.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.62 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.429 HG21 ' HA ' ' A' ' 104' ' ' ALA . 84.0 m -57.92 -51.04 71.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.336 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -27.69 66.52 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.235 -177.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -71.11 -48.21 53.56 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.962 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.84 -35.51 80.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.628 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.488 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m-80 -65.4 -27.12 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.013 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.32 -42.35 98.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.6 t -68.11 -47.28 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.488 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 5.3 pp0? -65.76 -35.03 79.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.733 0.301 . . . . 0.0 110.813 -176.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -69.57 -43.39 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -70.24 -27.87 64.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.609 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.687 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.7 t -68.99 -20.62 64.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -105.62 10.13 33.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.206 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -72.02 -47.05 54.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.066 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.31 11.52 82.04 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.4 t -111.28 -36.08 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 35.5 mt -79.82 173.53 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.335 0.588 . . . . 0.0 110.912 -176.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.4 p -98.06 168.68 10.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.992 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.9 -27.71 66.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.256 0.551 . . . . 0.0 109.939 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.56 -48.32 33.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.124 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.87 -44.04 97.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.749 -175.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.687 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 71.1 mtm -68.64 -28.11 66.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.922 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.62 -37.48 65.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.905 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.567 ' HB3' HG12 ' A' ' 77' ' ' VAL . 2.8 m-20 -61.43 -34.13 74.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.026 0.441 . . . . 0.0 110.482 176.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.422 ' O ' ' HG3' ' A' ' 43' ' ' MET . 82.5 mtp -65.12 -37.91 88.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.482 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.82 -42.6 96.96 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.479 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.2 ptp -75.82 -27.94 58.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.54 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.68 -28.68 51.17 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.635 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.64 74.71 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.336 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -59.71 -47.25 86.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.476 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -65.9 -28.69 69.13 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' MET . 71.7 t -62.07 -53.93 41.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.77 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.507 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 7.1 p30 -68.0 -32.9 73.61 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.286 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -59.23 -52.53 65.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.979 0.419 . . . . 0.0 110.095 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -70.1 -42.94 72.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.518 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.716 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.6 tmm? -68.58 -39.59 80.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.01 -175.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.106 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.64 -11.99 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.281 175.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.475 ' HB3' ' O ' ' A' ' 51' ' ' MET . 41.7 ttp -69.51 -37.02 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.623 174.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 87.08 163.69 39.19 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.923 174.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -76.49 149.94 31.37 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.502 2.135 . . . . 0.0 111.931 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.531 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 45.6 m-80 61.36 53.21 2.67 Favored Pre-proline 0 N--CA 1.467 0.408 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.911 -177.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 10.1 Cg_endo -89.8 157.97 5.08 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.97 2.447 . . . . 0.0 113.01 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 14.8 Cg_exo -67.23 139.06 48.98 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.7 2.266 . . . . 0.0 110.999 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.24 -24.23 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -71.02 -19.65 62.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.462 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -75.69 -50.49 15.25 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.1 mp -58.55 -36.05 73.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.116 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -51.99 -51.55 56.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.658 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.48 -25.61 57.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.451 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -40.44 76.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -63.03 -50.52 70.32 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.6 m -60.45 -45.83 92.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.459 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.18 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.338 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.443 ' O ' HG23 ' A' ' 74' ' ' VAL . 15.0 tmm? -67.44 -46.87 71.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.972 0.415 . . . . 0.0 109.933 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.85 78.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.494 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.78 86.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.03 -29.06 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.972 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.653 ' O ' HG22 ' A' ' 77' ' ' VAL . 83.0 t -69.49 -40.47 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 171.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -58.44 -36.19 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 176.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -59.65 -41.19 89.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.339 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.4 m -71.83 -28.2 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.463 . . . . 0.0 109.878 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' VAL . 47.5 t -77.91 -26.9 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.983 0.421 . . . . 0.0 110.36 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -12.29 60.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.013 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 t -78.05 -7.71 57.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 110.199 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m -88.62 130.5 45.06 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.79 160.69 47.17 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.022 1.815 . . . . 0.0 110.523 170.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.61 -28.03 27.69 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.042 2.495 . . . . 0.0 113.463 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.85 -56.84 6.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.645 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.4 p -86.91 -7.05 58.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.09 -46.8 65.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.411 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -59.39 -38.86 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.327 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.42 -33.66 67.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.232 0.539 . . . . 0.0 110.443 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.63 -48.74 63.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.357 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 90' ' ' LEU . 0.8 OUTLIER -57.3 -49.7 75.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.226 -177.351 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -62.53 -31.66 72.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -68.79 -41.7 78.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.548 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.72 -49.58 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.09 -22.21 68.67 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.269 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.26 -52.52 7.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 110.708 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.52 -39.98 94.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.964 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 97' ' ' LEU . 2.5 tm? -65.44 -29.84 70.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.305 0.574 . . . . 0.0 109.917 -178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -71.57 -38.64 70.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.656 -178.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 9.8 pt-20 -82.36 -39.51 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.889 -174.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 34.3 p -61.87 -31.52 71.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.767 -176.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.422 ' HB3' ' O ' ' A' ' 107' ' ' SER . 61.5 mmm -56.45 -49.36 74.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 ptp -80.5 -28.23 37.52 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.056 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.13 -29.74 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.419 . . . . 0.0 110.618 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.47 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -69.12 -69.42 0.33 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.3 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 10.2 t 166.62 -25.38 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.258 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.2 1.75 59.04 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.392 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 101' ' ' MET . 36.2 m 63.49 172.78 0.16 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.08 0.467 . . . . 0.0 110.376 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -103.12 100.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.781 0.8 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.36 150.33 31.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.452 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 110' ' ' ASN . 0.9 OUTLIER -82.49 -34.75 27.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.254 -176.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.88 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.703 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.34 -58.42 7.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 117' ' ' MET . 17.5 p -55.16 -48.58 73.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.292 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -56.85 -50.32 72.79 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.927 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.32 -43.78 89.91 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.521 0.2 . . . . 0.0 110.888 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 120' ' ' VAL . 70.5 t -59.38 -49.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 113' ' ' THR . 68.1 mmm -56.46 -47.76 78.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -54.81 -49.43 71.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.3 mt -65.23 -44.26 88.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.566 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 116' ' ' VAL . 69.8 t -57.07 -43.33 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.448 . . . . 0.0 110.82 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -71.41 -43.35 66.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.121 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 49.3 ttp -73.78 -28.48 61.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.686 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.29 11.93 30.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.693 0.282 . . . . 0.0 111.105 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 p -117.61 -63.36 1.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.217 0.532 . . . . 0.0 111.064 -179.556 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 18' ' ' MET . 9.8 tt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -82.78 14.76 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -40.96 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.221 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -145.25 140.67 16.25 Favored Pre-proline 0 N--CA 1.447 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.4 Cg_exo -41.53 -50.97 4.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 124.199 3.266 . . . . 0.0 114.277 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.33 -36.49 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.557 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.13 -48.92 64.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.214 0.53 . . . . 0.0 111.235 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.31 -42.66 59.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.64 -175.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.681 0.277 . . . . 0.0 111.047 -178.382 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.3 m -59.57 -51.21 70.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.24 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.488 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.49 -26.98 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.26 -177.365 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -69.11 -44.95 71.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -68.49 -40.8 80.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 6.4 m-20 -63.74 -30.11 71.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.134 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.74 -48.96 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.489 . . . . 0.0 109.813 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.03 -47.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.245 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.1 pt20 -65.68 -35.51 80.97 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.794 0.331 . . . . 0.0 110.824 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.5 t -67.21 -45.83 75.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.095 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -22.09 62.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.786 -177.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -74.01 -29.62 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -103.08 15.43 29.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.389 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.0 p -71.19 -48.82 49.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.463 0.649 . . . . 0.0 110.614 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.59 -3.25 59.2 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG13 HD12 ' A' ' 32' ' ' LEU . 3.8 p -105.43 -30.64 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.989 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD12 HG13 ' A' ' 31' ' ' VAL . 8.2 mp -76.28 140.99 41.79 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.6 p -73.96 168.61 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.52 -25.68 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.596 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.22 -56.43 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.497 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 40' ' ' MET . 80.1 mt-30 -53.52 -43.02 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.481 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.3 ptp -64.82 -30.37 71.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.711 0.291 . . . . 0.0 111.062 -177.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.06 -37.91 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.078 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.1 m-20 -65.17 -25.69 67.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 82.7 mmm -59.24 -30.1 68.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.76 -49.25 56.49 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.623 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.1 ptp -65.8 -28.52 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.928 0.394 . . . . 0.0 110.611 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.9 ttp -65.99 -46.27 78.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.983 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.97 78.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.73 -45.1 91.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.619 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -37.56 83.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.53 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 43' ' ' MET . 87.7 t -61.51 -51.2 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.336 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.624 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 25.0 p30 -69.38 -26.15 64.52 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.107 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 t -62.38 -53.26 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.723 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.4 tmm? -70.9 -44.59 65.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.847 -177.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -68.29 -37.15 80.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -81.45 3.4 24.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.689 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 43.0 ttm -68.58 -37.62 80.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 149.86 17.09 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.593 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.11 140.21 82.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.59 2.194 . . . . 0.0 111.546 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 62.37 78.93 0.28 Allowed Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 109.891 -173.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.689 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.8 Cg_exo -65.76 121.67 9.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.411 2.741 . . . . 0.0 113.459 -174.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -82.96 149.87 13.88 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.51 2.14 . . . . 0.0 111.786 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.62 -26.67 68.74 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -64.58 -22.89 67.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.999 0.428 . . . . 0.0 110.449 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 66' ' ' MET . 25.8 mmt180 -82.37 -45.54 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.674 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 58' ' ' PRO . 7.9 mp -57.04 -47.4 81.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.19 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 64' ' ' ARG . 35.0 mtt180 -68.87 -4.66 17.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.976 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.22 -6.33 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.678 0.275 . . . . 0.0 110.934 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.5 mmm -88.38 -36.44 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.769 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -44.98 84.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.877 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -77.32 -29.15 53.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.891 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.51 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.461 ' O ' HG23 ' A' ' 74' ' ' VAL . 36.4 ttm -58.96 -45.09 91.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.861 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.42 -46.09 62.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.968 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.433 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -73.49 -41.14 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.945 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 70' ' ' MET . 55.6 t -66.42 -31.6 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.098 0.475 . . . . 0.0 109.813 175.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.09 76.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.338 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -57.71 -55.42 35.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.443 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.0 -29.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.484 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.7 t -80.69 -29.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.812 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.47 -23.16 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 m -88.41 11.99 15.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.12 0.486 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -89.67 134.31 32.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.104 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.55 152.76 53.04 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 122.523 2.149 . . . . 0.0 111.749 172.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.71 -51.14 10.25 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.275 2.65 . . . . 0.0 113.851 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -77.44 -4.22 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 111.535 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 89' ' ' VAL . 16.4 m -101.05 -32.22 10.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.821 0.343 . . . . 0.0 110.248 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CE2' HG12 ' A' ' 78' ' ' VAL . 58.1 t80 -52.1 -52.29 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.336 -174.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -62.44 -32.72 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.928 0.394 . . . . 0.0 111.731 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.31 -37.03 61.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.494 . . . . 0.0 109.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 93' ' ' ILE . 98.0 t -69.35 -36.75 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.812 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.451 ' HG ' ' CE ' ' A' ' 121' ' ' LYS . 3.4 tt -55.4 -53.08 60.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.441 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -66.77 -40.28 88.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.128 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.0 m -61.07 -51.63 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.4 mm -57.98 -48.05 85.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.696 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.81 -42.68 98.18 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.709 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.58 69.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.13 -42.81 95.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.671 HD12 HG23 ' A' ' 113' ' ' THR . 1.4 tm? -63.04 -43.85 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -52.86 -57.17 11.12 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.348 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.51 -53.01 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.697 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 m -50.89 -40.29 56.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.125 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.3 mmm -59.63 -49.71 76.69 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.943 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -31.11 61.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.91 -23.21 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.835 177.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -70.67 -69.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.153 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.6 t 176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.06 31.38 4.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.203 -173.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p 51.66 -171.55 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.506 0.723 . . . . 0.0 111.627 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -107.98 102.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-O 121.788 0.804 . . . . 0.0 110.135 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.426 ' C ' HD22 ' A' ' 110' ' ' ASN . 20.3 t0 -62.73 161.06 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.239 -177.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.426 HD22 ' C ' ' A' ' 109' ' ' ASP . 0.9 OUTLIER -111.27 -4.02 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -178.375 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.93 -59.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.584 0.231 . . . . 0.0 111.18 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -56.1 -53.87 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.193 0.52 . . . . 0.0 110.039 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.671 HG23 HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -58.37 -24.18 59.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.607 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -85.74 -49.76 7.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.417 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.81 -42.62 85.58 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 116.925 -0.125 . . . . 0.0 111.195 -177.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.653 ' O ' HG23 ' A' ' 120' ' ' VAL . 8.6 p -60.57 -39.53 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 1.2 mmt -60.51 -49.86 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.54 -44.71 89.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.851 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.79 -44.68 96.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.6 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 116' ' ' VAL . 84.7 t -53.37 -51.94 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.547 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.451 ' CE ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.47 -49.86 73.4 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.557 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 48.4 ttp -66.77 -29.9 69.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.924 0.392 . . . . 0.0 111.779 -175.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.61 1.03 56.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.0 p -124.11 -31.4 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.923 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.655 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.276 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.579 HD13 ' SD ' ' A' ' 18' ' ' MET . 15.9 tt . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 121.148 0.499 . . . . 0.0 112.263 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.479 ' HB2' HD12 ' A' ' 63' ' ' LEU . 91.7 m95 -77.13 23.67 0.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.985 -0.447 . . . . 0.0 111.096 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.76 -43.07 60.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -175.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -132.14 130.14 21.94 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.559 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.749 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.9 Cg_exo -40.79 -53.03 3.01 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 124.54 3.494 . . . . 0.0 114.73 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -56.92 -38.56 73.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.342 . . . . 0.0 111.51 -175.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.58 65.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.09 0.471 . . . . 0.0 111.098 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.73 74.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.116 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.666 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.46 -38.41 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.28 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 m -59.11 -41.17 87.54 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.622 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.579 ' SD ' HD13 ' A' ' 8' ' ' ILE . 27.7 mtm -58.09 -48.48 80.04 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.589 0.709 . . . . 0.0 109.795 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -51.42 -56.7 11.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.881 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -72.88 -20.89 61.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -176.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 11.9 m-80 -70.35 -35.96 73.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.05 0.452 . . . . 0.0 110.248 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.95 -42.13 94.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.62 -46.58 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.097 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -68.86 -25.92 64.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.654 -177.157 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.22 -44.97 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.526 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -25.88 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 p -69.65 -41.08 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.561 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -105.26 18.64 21.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.998 0.428 . . . . 0.0 111.331 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -53.25 52.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.031 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.83 -4.77 32.32 Favored Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.583 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' CG1' HD12 ' A' ' 32' ' ' LEU . 5.5 p -101.9 -31.11 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.696 0.284 . . . . 0.0 111.19 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.455 HD12 ' CG1' ' A' ' 31' ' ' VAL . 6.6 mp -80.47 167.53 20.04 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -103.55 163.87 12.02 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.786 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 37' ' ' MET . . . -56.08 -36.19 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.105 0.479 . . . . 0.0 110.505 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -87.95 23.55 2.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.78 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG3' HG22 ' A' ' 77' ' ' VAL . 62.9 tt0 -134.91 -38.78 0.79 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.318 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.9 ptp -75.38 -25.25 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.196 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -72.34 -37.55 68.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 110.558 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.14 -25.56 66.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.563 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.452 ' HB2' ' O ' ' A' ' 37' ' ' MET . 71.5 mmm -59.66 -33.59 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.441 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -48.99 75.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptp -76.72 -18.25 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.797 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . 13.0 tmm? -62.99 -43.99 97.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.416 ' HA ' HD21 ' A' ' 48' ' ' ASN . 13.0 t70 -62.21 -42.68 99.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.546 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t -68.12 -29.45 68.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.572 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 43' ' ' MET . 58.4 t -65.01 -54.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.644 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.416 HD21 ' HA ' ' A' ' 45' ' ' ASP . 9.9 p30 -66.52 -25.35 66.64 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.982 -177.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.9 m -63.56 -55.69 21.85 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 120.827 0.346 . . . . 0.0 110.516 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -69.87 -33.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.435 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.749 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 3.0 tmm? -68.14 -53.42 25.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.893 -174.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -66.48 -32.84 74.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.734 0.302 . . . . 0.0 111.203 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -67.05 -8.33 29.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.52 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.8 mtm -69.92 -34.53 73.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.794 0.331 . . . . 0.0 110.36 173.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.19 167.94 13.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.419 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.2 -14.66 25.75 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.982 2.455 . . . . 0.0 112.193 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.57 75.69 16.32 Favored Pre-proline 0 C--N 1.313 -1.008 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.159 -177.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HG2' HD11 ' A' ' 63' ' ' LEU . 73.8 Cg_endo -78.23 128.51 9.01 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.757 2.304 . . . . 0.0 112.826 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' HD22 ' A' ' 63' ' ' LEU . 60.0 Cg_endo -74.98 167.98 25.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.417 2.078 . . . . 0.0 111.651 175.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -56.41 -35.85 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -68.1 -12.25 60.53 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -92.84 -49.96 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.856 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -57.25 -46.86 82.62 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.325 -176.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 5.5 ptt180 -63.86 -34.74 78.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.065 -175.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.509 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -80.32 -26.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.989 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 tpt -68.13 -30.92 70.18 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -60.21 -47.17 87.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.0 m -59.14 -37.7 77.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.703 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.35 54.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.1 ttp -67.86 -40.02 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.072 0.463 . . . . 0.0 110.246 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.54 79.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.926 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 76' ' ' GLU . . . -70.09 -43.46 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.704 0.288 . . . . 0.0 110.596 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.5 -40.29 78.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.268 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 78' ' ' VAL . 28.5 m -82.87 -30.68 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.321 178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 16.3 mm-40 -59.32 -41.88 90.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.296 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 74' ' ' VAL . 6.3 p -81.77 -27.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.803 -177.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 74' ' ' VAL . 77.1 t -70.81 -32.43 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 176.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -10.74 39.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.816 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -75.26 -18.14 60.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.16 0.505 . . . . 0.0 110.589 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -76.04 123.81 88.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.84 150.8 81.37 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.61 2.207 . . . . 0.0 111.215 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.44 -35.66 36.81 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.188 2.592 . . . . 0.0 113.243 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.62 -26.67 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.911 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 m -116.67 -3.29 11.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.232 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -59.67 -50.66 72.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.464 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 m -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.96 -37.98 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.57 . . . . 0.0 110.288 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.2 t -72.25 -45.47 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.265 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -47.03 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.797 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.11 -36.29 74.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.7 m -67.82 -43.51 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.513 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.8 mm -59.2 -46.69 91.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.509 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.75 -39.18 97.64 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 113.013 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.52 -47.47 60.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.786 0.327 . . . . 0.0 111.011 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.7 m -63.55 -37.21 86.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -36.74 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.498 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 10.2 mmt180 -59.48 -56.8 17.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.641 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.05 -37.37 81.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.806 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.2 m -54.42 -35.85 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.464 ' SD ' ' HD2' ' A' ' 112' ' ' PHE . 48.0 mtp -69.19 -49.13 59.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.765 0.317 . . . . 0.0 111.582 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.5 ptm -74.96 -26.28 59.48 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.537 -174.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.94 -20.06 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.405 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.55 -66.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.422 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t 177.19 -33.04 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.55 27.42 8.71 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.415 -0.898 . . . . 0.0 114.118 -169.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.8 p 48.86 -164.72 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.98 0.512 . . . . 0.0 111.987 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.02 92.52 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.9 155.33 38.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.809 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.574 ' H ' HD22 ' A' ' 110' ' ' ASN . 0.1 OUTLIER -92.08 -5.97 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.499 -174.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -110.6 -53.71 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.265 -0.272 . . . . 0.0 111.539 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HD2' ' SD ' ' A' ' 101' ' ' MET . 84.2 t80 -56.21 -50.29 71.67 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.079 0.237 . . . . 0.0 111.273 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.448 HG23 ' SD ' ' A' ' 101' ' ' MET . 35.7 p -57.21 -42.5 81.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.289 0.566 . . . . 0.0 110.589 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.7 -49.23 77.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.378 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 42.2 mm-40 -57.09 -51.32 69.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.52 -46.9 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.977 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.1 mmt -57.74 -48.33 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.211 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -61.17 -51.36 69.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 110.628 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.52 -47.86 68.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.551 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.39 -41.05 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.106 0.412 . . . . 0.0 111.094 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -69.48 -46.2 67.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -77.89 -28.43 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.209 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.22 -9.24 59.57 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.293 -0.255 . . . . 0.0 111.38 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -64.98 1.11 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.894 0.378 . . . . 0.0 110.156 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.684 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.122 -176.886 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.545 HD13 ' SD ' ' A' ' 18' ' ' MET . 19.6 tt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 121.392 0.615 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -82.82 49.6 1.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.561 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.5 p -87.36 -43.75 11.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.866 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -151.68 148.9 22.76 Favored Pre-proline 0 N--CA 1.446 -0.651 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.997 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.849 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 96.0 Cg_exo -41.63 -54.38 2.8 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 124.048 3.166 . . . . 0.0 114.061 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -59.45 -36.35 75.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.349 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -52.33 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 111.594 -176.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -78.72 -36.57 43.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.528 -173.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.498 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.6 OUTLIER -63.19 -30.56 71.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.739 179.668 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.564 HG21 ' HA ' ' A' ' 104' ' ' ALA . 54.5 m -57.44 -54.32 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.367 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.545 ' SD ' HD13 ' A' ' 8' ' ' ILE . 25.3 ptt? -65.09 -36.38 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.68 -177.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -63.9 -44.42 93.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.996 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -70.08 -40.93 74.7 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.167 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.0 m-20 -65.54 -30.12 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.128 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.88 -46.23 90.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.147 0.499 . . . . 0.0 109.914 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.5 t -64.1 -48.44 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.473 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.85 -26.65 67.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.059 -175.145 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.57 -50.85 11.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.993 0.425 . . . . 0.0 110.314 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.48 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.175 -174.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -66.15 -27.53 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 111.304 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -109.09 22.22 16.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 -177.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 p -72.37 -37.15 68.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.12 3.57 75.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -173.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -103.36 -44.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.98 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.447 HD22 ' OE1' ' A' ' 36' ' ' GLN . 31.6 mt -77.69 -178.68 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.06 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' H ' ' A' ' 36' ' ' GLN . 9.1 t -117.1 166.81 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.023 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -30.59 65.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.486 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.35 -49.71 39.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.492 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 40' ' ' MET . 78.7 mt-30 -60.85 -45.39 94.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.693 -176.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 ptp -64.58 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.12 -38.4 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -66.36 -28.38 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.49 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.6 mtp -65.87 -27.83 68.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.428 . . . . 0.0 110.036 174.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.75 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.873 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ptp -76.53 -23.89 53.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.04 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.4 tmm? -63.92 -44.5 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 172.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.31 73.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.525 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.53 -32.51 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.257 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 t -69.55 -34.56 74.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 43' ' ' MET . 47.7 t -67.78 -57.3 9.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.25 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -66.99 -24.79 66.07 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.716 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -66.24 -47.98 72.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -80.39 -36.76 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.844 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.849 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.0 tmm? -61.52 -47.66 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.631 0.373 . . . . 0.0 111.876 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -68.17 -29.1 67.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -94.27 9.18 39.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.55 -178.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.0 ttm -78.35 -24.74 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.11 131.15 7.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.978 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.58 123.86 13.52 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.349 2.033 . . . . 0.0 110.695 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 63.08 71.74 0.63 Allowed Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -168.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.47 164.95 33.73 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 123.343 2.696 . . . . 0.0 113.869 -170.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.73 145.0 50.36 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.117 2.545 . . . . 0.0 112.132 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.09 -42.62 81.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.953 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -67.91 -18.14 64.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.337 . . . . 0.0 111.409 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.36 -23.01 35.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.596 0.236 . . . . 0.0 111.146 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 mt -66.69 -51.71 52.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.856 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.31 -25.39 34.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.971 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.19 -25.67 27.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.424 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.6 tpp -78.3 -44.72 24.59 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -173.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.434 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -59.98 -32.4 70.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.566 176.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.547 HG23 ' CD2' ' A' ' 119' ' ' LEU . 25.1 m -74.22 -44.65 52.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.132 0.492 . . . . 0.0 110.259 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.32 80.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.107 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 74' ' ' VAL . 39.4 ttp -66.84 -38.56 86.62 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 116' ' ' VAL . . . -53.87 -46.97 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.969 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.5 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.299 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -69.51 -43.1 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.167 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 77' ' ' VAL . 39.9 t -70.72 -25.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.66 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -66.3 -29.48 69.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.173 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 74' ' ' VAL . 8.7 m -82.9 -30.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.069 0.461 . . . . 0.0 110.55 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.541 HG21 ' HZ2' ' A' ' 121' ' ' LYS . 48.2 t -76.1 -21.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.457 0.646 . . . . 0.0 109.994 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.43 -11.56 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.393 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -107.39 23.25 14.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.038 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.5 m -100.98 133.54 20.97 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -64.15 131.31 30.0 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.497 2.131 . . . . 0.0 111.599 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -46.09 -38.17 18.82 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.557 2.838 . . . . 0.0 113.916 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -67.77 -18.03 64.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.853 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 m -124.01 12.68 9.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.04 0.448 . . . . 0.0 110.904 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.02 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -61.83 -30.2 70.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.48 . . . . 0.0 111.495 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.08 -37.34 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.293 0.568 . . . . 0.0 109.924 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 93' ' ' ILE . 89.4 t -70.17 -36.13 66.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.928 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.572 HD22 ' HE2' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -53.18 -56.69 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.72 175.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -68.3 -40.33 81.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.104 -175.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.8 -40.45 79.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.221 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 89' ' ' VAL . 31.6 mm -63.25 -53.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.43 -23.31 75.13 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.032 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.56 -52.66 10.11 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.889 -0.183 . . . . 0.0 111.364 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.98 -32.58 67.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.896 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.31 -40.65 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.469 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 98' ' ' ARG . 17.9 ptt-85 -68.01 -45.13 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.545 -175.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.32 -43.39 77.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.257 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 57.5 p -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.684 0.278 . . . . 0.0 111.059 -177.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.0 ttt -62.14 -43.84 97.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.241 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.32 46.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 120.869 0.366 . . . . 0.0 110.387 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.16 -4.78 23.09 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.466 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 17' ' ' THR . . . -76.05 -70.41 0.44 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.785 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.5 t 176.08 -40.59 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.561 ' O ' ' HB2' ' A' ' 107' ' ' SER . . . -67.9 -74.24 0.6 Allowed Glycine 0 C--N 1.333 0.417 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.288 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 9.0 t 162.85 179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.45 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 3.6 p -107.68 99.35 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.847 0.832 . . . . 0.0 109.697 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.1 140.35 47.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.878 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 114' ' ' ASN . 7.7 p30 -86.05 -9.01 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -172.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.21 -42.15 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.102 0.477 . . . . 0.0 109.856 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 74.0 t80 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.23 176.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 117' ' ' MET . 63.8 p -66.26 -15.72 63.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 110' ' ' ASN . 53.9 t-20 -75.76 -66.22 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.853 178.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.27 -50.87 70.12 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.953 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 120' ' ' VAL . 9.5 p -58.84 -38.82 75.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.848 -175.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.579 ' HB2' ' O ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -57.3 -53.92 52.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -68.59 -45.49 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.547 ' CD2' HG23 ' A' ' 68' ' ' THR . 9.8 mp -63.24 -34.56 77.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 116' ' ' VAL . 43.8 t -60.98 -22.4 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.201 0.524 . . . . 0.0 110.564 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.572 ' HE2' HD22 ' A' ' 90' ' ' LEU . 14.8 mmmt -95.37 -51.1 4.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 0.0 110.096 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 55.9 ttp -60.65 -43.4 97.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.75 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.2 mt -79.31 0.86 27.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.134 0.492 . . . . 0.0 110.493 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -104.56 -64.45 1.11 Allowed 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.279 -177.74 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.501 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 71.7 m95 -81.46 64.99 6.4 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -120.38 -35.3 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.522 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -137.62 124.71 13.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.06 -176.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.711 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 93.1 Cg_exo -44.12 -43.72 12.74 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.658 2.905 . . . . 0.0 113.726 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.436 HD22 ' HA ' ' A' ' 13' ' ' ASN . 2.0 t-20 -80.45 7.82 8.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.439 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.8 -40.46 3.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.474 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.43 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -59.89 -30.32 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 104' ' ' ALA . 37.4 m -56.72 -55.94 27.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.386 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -29.05 67.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.15 -176.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -66.03 -50.1 65.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 111.131 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -72.73 -32.9 66.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.562 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.7 m-20 -65.25 -32.77 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.411 . . . . 0.0 110.275 176.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -45.74 91.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.02 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.32 -47.33 93.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 8.2 pt20 -70.45 -31.36 68.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.866 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.36 -45.77 68.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.183 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -67.05 -24.77 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.805 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.634 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 8.4 t -73.91 -10.76 59.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.48 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -115.13 20.18 15.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.1 p -81.51 -42.91 19.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 111.213 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.26 80.43 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.27 -45.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.101 -0.55 . . . . 0.0 110.186 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 26' ' ' ALA . 9.4 mp -73.38 139.48 45.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.474 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -82.75 169.53 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.607 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -30.22 66.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.938 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -90.17 0.42 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.406 -174.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.634 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 74.2 mtm -108.78 -0.62 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.723 173.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.5 -43.16 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -68.4 -32.97 73.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.147 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.419 ' SD ' HG21 ' A' ' 77' ' ' VAL . 57.3 mmm -60.89 -36.68 79.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.438 . . . . 0.0 110.576 172.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.66 -50.01 56.59 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.08 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -71.04 -20.9 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.42 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.5 tmm? -67.6 -45.35 75.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.57 76.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.99 0.424 . . . . 0.0 110.562 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -17.78 64.91 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.607 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 t -92.66 -32.5 14.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.238 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 43' ' ' MET . 57.3 t -62.85 -49.35 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.039 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.434 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 13.9 p30 -68.43 -27.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.267 -0.173 . . . . 0.0 111.118 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.6 t -59.28 -42.17 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 110.091 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -81.28 -36.42 29.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.021 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.711 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 17.5 tmm? -70.12 -33.65 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.471 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.1 -25.0 61.57 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.547 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -81.57 -5.21 57.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.271 175.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.505 ' HB3' ' O ' ' A' ' 51' ' ' MET . 46.3 ttm -81.87 -57.12 3.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.872 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.45 164.32 30.67 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.821 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.28 134.3 12.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.744 2.296 . . . . 0.0 112.071 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 57.57 60.7 6.46 Favored Pre-proline 0 N--CA 1.469 0.495 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.078 -173.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -86.89 170.59 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.031 2.487 . . . . 0.0 113.236 -171.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.6 136.28 21.07 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.192 1.928 . . . . 0.0 111.449 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -64.54 -16.63 62.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -68.02 -21.47 65.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.21 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 66' ' ' MET . 23.8 mmt85 -78.53 -37.57 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.503 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 64' ' ' ARG . 5.4 mpt_? -57.63 -37.72 73.79 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.79 -32.92 62.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.731 0.301 . . . . 0.0 111.516 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.485 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 93.3 mmm -67.58 -30.66 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -58.61 -51.28 70.57 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 119' ' ' LEU . 83.0 m -67.22 -44.02 80.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.09 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.54 80.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.797 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.438 ' O ' HG23 ' A' ' 74' ' ' VAL . 41.0 ttp -68.0 -41.69 81.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.165 -176.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.76 71.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 76' ' ' GLU . . . -62.41 -45.23 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 177.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.16 -31.09 67.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 77' ' ' VAL . 84.3 t -68.46 -39.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 0.0 110.081 173.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -60.75 -30.4 69.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.999 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 10.4 mm-40 -59.76 -43.99 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.305 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 74' ' ' VAL . 5.1 m -75.84 -21.39 15.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.233 0.539 . . . . 0.0 110.477 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 74' ' ' VAL . 52.6 t -80.16 -33.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -18.93 65.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.2 m -75.79 -11.91 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.203 0.525 . . . . 0.0 110.675 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 m -86.16 131.57 46.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -63.21 147.79 93.65 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.543 2.162 . . . . 0.0 111.11 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.93 -34.11 36.08 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.216 2.61 . . . . 0.0 113.29 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.83 -39.64 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 111.615 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m -98.13 -5.03 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.11 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.85 -47.17 74.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.429 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -58.98 -35.75 73.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.479 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.52 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 0.0 110.324 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 93' ' ' ILE . 84.6 t -72.46 -45.58 59.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.327 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 90' ' ' LEU . 1.4 tm? -57.88 -48.29 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.12 -177.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.68 -36.35 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.033 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.3 m -65.07 -41.21 95.29 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.756 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.5 mm -55.76 -53.94 31.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.226 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.13 92.74 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.65 85.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 0.0 111.278 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 88.0 m -75.2 -30.23 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 1.7 tm? -64.3 -50.13 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.411 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -59.67 -45.68 91.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.727 -176.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -59.7 -57.99 10.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.053 0.454 . . . . 0.0 111.054 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 m -50.9 -42.79 59.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.897 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 45.1 mmm -54.73 -53.38 55.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.908 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.1 ptm -78.1 -31.13 49.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.492 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.4 -20.18 66.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.542 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -67.67 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 165.02 -26.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.34 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.97 23.36 26.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.492 -172.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.9 p 52.75 -175.54 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.265 0.626 . . . . 0.0 111.722 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.0 p -110.69 99.15 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 121.686 0.755 . . . . 0.0 110.31 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.86 148.99 43.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.606 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.63 -44.58 49.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.383 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.88 83.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.667 0.27 . . . . 0.0 111.019 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -59.66 -45.97 90.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.254 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.1 p -64.49 -37.51 87.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.65 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -70.55 -37.89 74.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.538 0.209 . . . . 0.0 110.773 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -55.91 -55.22 35.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.895 173.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.83 -49.34 81.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.287 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.4 mmt -74.46 -1.73 22.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -175.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -108.1 -50.58 3.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.452 HD13 ' CE ' ' A' ' 122' ' ' MET . 3.2 mm? -63.87 -41.21 97.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -177.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 54.0 t -63.43 -33.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -79.71 -46.68 16.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.053 0.454 . . . . 0.0 110.273 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.452 ' CE ' HD13 ' A' ' 119' ' ' LEU . 52.8 ttp -64.17 -36.1 82.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.382 -176.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.404 HD11 HD12 ' A' ' 119' ' ' LEU . 95.3 mt -89.92 10.11 25.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.665 0.269 . . . . 0.0 111.536 -176.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.8 p -124.67 -62.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.29 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.66 175.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.662 HG12 ' SD ' ' A' ' 18' ' ' MET . 8.6 tp . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.495 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . 94.8 m95 -76.99 30.1 0.13 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.124 -0.36 . . . . 0.0 110.928 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.427 ' H ' ' C ' ' A' ' 8' ' ' ILE . 1.6 m -79.81 -43.34 22.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.329 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -147.67 152.6 41.68 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.387 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.03 -52.8 5.93 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.923 3.082 . . . . 0.0 113.654 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.2 7.15 2.94 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.562 0.696 . . . . 0.0 111.288 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.77 -56.59 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.196 0.522 . . . . 0.0 110.006 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -66.62 -46.0 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.041 -175.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.644 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -65.41 -43.66 89.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.398 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -53.02 -48.98 67.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.033 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.662 ' SD ' HG12 ' A' ' 8' ' ' ILE . 13.7 ptt? -64.58 -34.49 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.374 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.477 ' N ' ' HG3' ' A' ' 18' ' ' MET . 43.6 m -62.35 -53.63 52.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.842 -176.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -74.83 -25.63 59.14 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.644 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 55.0 m-20 -66.62 -33.92 76.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.212 0.529 . . . . 0.0 110.094 173.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.2 -38.8 91.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.59 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 44' ' ' ALA . 87.8 t -67.43 -47.12 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.911 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.82 -34.03 77.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 -177.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -72.13 -41.92 66.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.358 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.15 69.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -68.31 -41.9 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.55 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -102.0 25.6 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.119 0.485 . . . . 0.0 110.21 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 p -74.07 -42.1 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.844 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.42 4.81 59.38 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -173.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.25 -61.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.519 -0.341 . . . . 0.0 110.418 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.11 148.66 47.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.5 p -87.75 168.88 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.707 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.19 -30.05 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.169 0.509 . . . . 0.0 110.458 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -53.89 12.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.669 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -64.79 -35.39 80.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.698 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 ptp -71.69 -19.64 62.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.217 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.82 -34.03 57.93 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.051 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -63.62 -34.69 78.38 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.62 -40.59 88.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.483 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.56 -39.98 97.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.037 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtm -68.09 -37.05 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.427 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.2 tmm? -61.5 -48.61 80.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.141 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' HA ' HD21 ' A' ' 48' ' ' ASN . 25.9 t70 -61.81 -40.61 95.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.702 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 23.3 t -67.94 -40.65 83.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.338 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 43' ' ' MET . 86.4 t -58.26 -47.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.376 -175.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.644 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 8.9 p30 -67.38 -31.78 72.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.384 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -67.67 -46.85 71.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 46' ' ' SER . 75.4 mt-30 -62.13 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.916 179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.36 -45.98 90.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.37 -29.04 63.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.228 -177.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -78.16 -21.05 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.444 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.711 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 53.4 ttp -70.37 -30.95 68.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 170.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 121.89 150.5 8.26 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.52 173.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.76 18.12 0.64 Allowed 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.026 2.484 . . . . 0.0 111.617 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -166.7 69.09 1.04 Allowed Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 114.64 -1.164 . . . . 0.0 107.868 -177.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.409 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 16.7 Cg_exo -68.89 139.44 43.32 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.516 2.81 . . . . 0.0 113.805 -170.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -67.86 143.57 61.51 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.125 1.883 . . . . 0.0 110.906 171.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -53.48 -37.45 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -69.64 -20.23 63.6 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.545 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.711 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 15.1 mmt180 -74.57 -32.86 62.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.885 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.495 ' HG ' ' HB2' ' A' ' 9' ' ' TRP . 9.1 mp -63.01 -34.13 76.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 178.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.589 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.3 mpt_? -86.64 4.32 40.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.566 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.64 -15.26 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.595 173.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 86.6 mmm -89.59 -19.82 24.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.121 0.486 . . . . 0.0 110.703 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -55.24 -56.29 21.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -64.69 -37.2 86.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.27 8.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.218 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.452 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.0 tmm? -67.85 -45.87 73.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.214 -178.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.75 67.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.591 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.09 -48.53 73.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.315 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.03 -26.1 63.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.142 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 70' ' ' MET . 93.8 t -74.75 -44.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 109.925 172.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -59.52 -30.56 68.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.439 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.04 -38.66 79.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.228 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.76 -33.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 74' ' ' VAL . 15.8 t -80.51 -16.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.143 -177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.35 29.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.968 0.414 . . . . 0.0 111.785 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 m -101.09 5.08 42.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.37 0.605 . . . . 0.0 110.382 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 m -100.75 117.45 62.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.35 146.6 97.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.848 2.365 . . . . 0.0 111.798 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -40.41 -44.87 4.34 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.127 3.218 . . . . 0.0 114.291 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -53.59 -51.1 64.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.275 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -89.08 -22.76 22.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.617 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.433 ' OH ' ' HA ' ' A' ' 121' ' ' LYS . 61.7 t80 -52.99 -45.15 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.219 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.24 -31.89 70.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.478 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.47 -37.15 57.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.12 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.3 t -69.31 -45.85 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.036 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -48.34 81.99 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.894 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.25 -37.73 81.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.843 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.8 m -61.35 -47.84 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.486 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.2 mm -57.32 -51.95 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.299 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.35 99.58 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.797 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.665 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -67.68 -53.53 26.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.669 0.271 . . . . 0.0 110.981 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.57 -37.74 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.122 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.17 -46.27 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.949 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 29.2 ptt180 -62.44 -37.74 87.05 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.273 0.558 . . . . 0.0 110.542 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.5 mm-40 -68.59 -49.6 58.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.764 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 70.2 m -54.14 -41.64 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -175.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.51 ' SD ' ' HA ' ' A' ' 108' ' ' VAL . 1.7 ptp -67.75 -38.76 83.91 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.686 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 14.2 ptm -76.85 -26.08 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.175 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.13 -21.99 60.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.117 0.484 . . . . 0.0 110.48 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.582 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.88 -62.58 1.65 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.166 175.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 164.68 -18.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.929 -177.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.99 0.56 66.12 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.648 -173.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m 62.34 -164.12 0.25 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -176.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 19.1 t -108.3 101.72 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.24 125.24 34.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.761 177.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -82.5 -1.53 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.55 -49.95 4.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -48.67 80.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 p -58.4 -44.19 88.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.324 0.583 . . . . 0.0 110.608 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -66.5 -38.01 86.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.647 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.59 -52.32 46.7 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 123.019 0.528 . . . . 0.0 110.731 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.6 t -61.69 -41.94 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -51.65 66.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 122.597 0.359 . . . . 0.0 111.26 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.83 -49.08 76.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.479 -177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.4 t -59.89 -46.34 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 110.576 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 57.3 mtpt -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.455 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.3 ttp -75.28 -39.21 59.91 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.264 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.5 mt -87.12 5.62 36.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.812 0.339 . . . . 0.0 111.249 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -110.7 -61.01 1.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.031 0.443 . . . . 0.0 110.891 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 121.886 0.851 . . . . 0.0 111.212 -174.581 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.489 HG12 ' SD ' ' A' ' 18' ' ' MET . 7.9 tp . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -82.07 25.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.351 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 8' ' ' ILE . 15.9 m -61.77 -48.54 80.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.407 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -143.21 150.98 54.08 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.8 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 82.2 Cg_exo -44.26 -50.74 7.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.935 3.09 . . . . 0.0 114.097 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -56.98 -43.77 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.29 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.064 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -69.39 -44.89 70.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.391 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.525 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -65.21 -30.54 71.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.984 -177.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -51.35 70.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.185 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.9 ptt? -65.66 -35.68 81.48 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.843 -177.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.419 ' HB ' ' HE1' ' A' ' 16' ' ' MET . 2.6 m -63.12 -45.08 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -67.31 -45.68 75.76 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 3.7 m-20 -63.8 -29.36 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.222 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.17 -44.72 94.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 109.957 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -47.22 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.3 pp0? -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.795 0.331 . . . . 0.0 110.603 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.19 -46.16 61.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.101 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -67.26 -22.24 65.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -70.7 -32.8 70.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.105 0.478 . . . . 0.0 110.385 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -97.95 12.74 33.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.378 -175.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -69.46 -42.69 74.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.981 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.67 3.6 88.1 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.06 -39.42 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.058 -0.571 . . . . 0.0 110.443 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 64.0 mt -83.73 168.25 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 -177.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.543 ' O ' ' HG3' ' A' ' 37' ' ' MET . 12.6 p -94.84 167.32 11.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.539 177.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.154 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.16 -40.33 62.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.205 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.51 -38.01 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.486 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.543 ' HG3' ' O ' ' A' ' 33' ' ' THR . 42.9 mtt -66.78 -37.18 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 110.089 175.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.64 -46.64 84.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.265 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.79 -38.79 86.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.8 mmm -59.24 -36.02 74.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.502 175.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -40.08 62.06 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.773 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.0 ptp -75.73 -30.14 59.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.809 0.305 . . . . 0.0 111.671 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.462 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -74.81 -25.33 58.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.16 -176.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.85 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.59 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.37 -25.97 63.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.5 t -78.24 -33.92 49.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 43' ' ' MET . 54.6 t -64.22 -57.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.018 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 14.8 p30 -67.69 -27.56 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 33.1 t -62.52 -55.27 28.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.23 -29.44 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.307 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.8 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.9 tmm? -68.17 -33.39 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.57 -21.65 57.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.5 mmtt -80.26 -15.44 56.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.388 0.614 . . . . 0.0 109.583 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.498 ' SD ' ' HG3' ' A' ' 58' ' ' PRO . 35.6 ttm -70.73 -56.3 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.18 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.09 143.75 15.52 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.233 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.9 141.52 94.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.767 2.311 . . . . 0.0 112.122 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 55.29 67.19 3.26 Favored Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.577 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.498 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 42.4 Cg_endo -96.5 172.85 0.9 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.209 2.606 . . . . 0.0 113.632 -173.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.8 150.77 31.01 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.841 2.361 . . . . 0.0 111.252 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.446 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 13.4 pt20 -66.39 -20.44 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.18 -23.94 67.24 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.792 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 66' ' ' MET . 24.2 mmt180 -73.45 -40.86 63.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.218 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.09 -41.73 99.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.085 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.474 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 12.1 mpt_? -74.55 0.26 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.503 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -111.6 -18.84 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.716 176.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.2 mmm -87.15 -27.67 22.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.362 -175.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 10.8 p30 -51.53 -46.14 63.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.356 172.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 19.7 m -76.24 -35.91 58.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.573 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.51 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.347 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.5 ttp -87.36 -43.31 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.258 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.16 -47.37 62.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.097 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.9 81.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.734 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.9 mm-40 -72.59 -44.3 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.933 0.396 . . . . 0.0 110.511 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.487 ' O ' HG22 ' A' ' 77' ' ' VAL . 58.1 t -65.5 -31.72 55.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.68 64.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.523 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.95 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.348 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 74' ' ' VAL . 23.4 m -70.79 -31.71 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.348 . . . . 0.0 110.552 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.8 t -72.92 -39.83 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.156 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.4 -22.38 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.957 0.408 . . . . 0.0 111.405 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 m -91.34 3.27 55.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.418 0.628 . . . . 0.0 110.358 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -94.29 120.69 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.46 151.42 70.8 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.744 2.296 . . . . 0.0 112.529 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.69 86.44 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.114 2.543 . . . . 0.0 112.83 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -164.04 -38.18 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.055 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 89' ' ' VAL . 31.3 t -134.1 25.24 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.027 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -68.2 -49.4 61.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.307 -174.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -62.38 -29.17 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.84 78.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 0.0 110.223 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 85' ' ' SER . 73.6 t -60.05 -48.73 86.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.414 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.7 mt -62.62 -41.34 98.96 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.714 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -65.82 -34.47 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.531 0.205 . . . . 0.0 111.042 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.8 m -61.08 -52.83 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.364 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.4 mm -58.99 -46.79 91.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.588 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.49 -29.96 75.01 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.539 -176.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.98 -49.21 7.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.641 0.257 . . . . 0.0 111.006 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.3 m -58.95 -36.76 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.587 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.75 -38.04 86.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 110.159 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 63.4 mtt180 -66.35 -52.9 42.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 100' ' ' SER . 5.4 pt-20 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.888 0.375 . . . . 0.0 110.803 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.0 m -57.46 -36.09 70.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.53 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 83.0 mtp -67.77 -45.08 75.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ptm -79.95 -11.89 59.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.388 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -18.98 40.27 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 171.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.48 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -84.08 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.816 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 171.87 -19.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.624 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.91 6.06 84.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.646 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.2 m 57.62 -168.36 0.12 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.907 0.353 . . . . 0.0 110.851 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.24 92.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.61 152.71 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.643 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -87.72 -16.81 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.7 -51.37 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.458 -175.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.91 -38.59 91.6 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.0 p -70.21 -8.58 51.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.433 0.635 . . . . 0.0 110.952 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.85 -43.38 4.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.903 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.51 -53.81 53.04 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.706 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 120' ' ' VAL . 8.6 p -63.41 -36.87 77.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.412 ' SD ' ' HA2' ' A' ' 94' ' ' GLY . 71.9 mmm -65.33 -48.44 73.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.1 -43.04 66.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.282 0.563 . . . . 0.0 110.183 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.488 ' HA ' ' HE3' ' A' ' 122' ' ' MET . 8.7 mt -69.91 -47.21 63.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 116' ' ' VAL . 59.8 t -54.53 -56.53 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.722 0.296 . . . . 0.0 110.459 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -53.65 -43.05 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.365 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.488 ' HE3' ' HA ' ' A' ' 119' ' ' LEU . 7.7 tmm? -81.75 -29.78 32.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.335 -174.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.65 -6.56 59.13 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.33 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -92.18 -48.49 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.509 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -176.536 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.466 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.7 tt . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 121.058 0.456 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -72.59 -8.97 57.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.107 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.6 m -74.01 -14.36 61.01 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.999 0.428 . . . . 0.0 111.318 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -132.21 112.59 14.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.623 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 58.6 Cg_exo -51.41 -41.62 58.77 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.379 2.719 . . . . 0.0 112.983 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -83.74 18.01 2.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.782 0.801 . . . . 0.0 110.658 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.0 -47.59 1.78 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.697 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.233 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.664 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.4 mmt -70.69 -29.53 65.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.749 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.1 m -61.32 -49.71 75.87 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.714 0.292 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.466 ' SD ' HD13 ' A' ' 8' ' ' ILE . 24.0 ptt? -64.83 -37.3 87.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.627 HG21 HG21 ' A' ' 47' ' ' VAL . 56.3 m -65.69 -49.44 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.497 -176.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -66.94 -36.9 83.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.578 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 91.9 m-20 -70.02 -31.44 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 110.814 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.11 -40.9 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 109.878 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.19 -43.44 84.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.083 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.2 pp0? -69.35 -37.76 77.81 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.685 -177.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 96' ' ' CYS . 41.6 t -67.35 -46.06 74.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -67.36 -28.09 67.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.187 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 t -68.48 -30.6 69.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.018 0.437 . . . . 0.0 110.694 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -108.29 19.19 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -176.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.12 -40.83 71.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.92 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 9.15 82.77 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.18 -44.16 6.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.432 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 42.3 mt -78.35 178.07 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.227 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 36' ' ' GLN . 13.4 t -112.72 168.52 9.61 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.9 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.17 72.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.4 -33.71 65.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' H ' HG23 ' A' ' 33' ' ' THR . 89.2 mt-30 -70.73 -23.56 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 33' ' ' THR . 54.6 mtt -71.15 -24.39 62.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.55 -38.14 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 42' ' ' MET . 38.7 m-20 -58.01 -47.93 81.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.49 0.662 . . . . 0.0 109.423 173.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -56.04 -40.28 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.395 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.17 -41.11 54.61 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.5 ptp -69.01 -34.07 74.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.811 0.306 . . . . 0.0 111.439 -175.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -31.17 51.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.842 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.522 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . . . -75.17 -4.18 37.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -87.93 -43.66 11.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.282 0.563 . . . . 0.0 109.827 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -72.15 -32.36 66.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.003 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.627 HG21 HG21 ' A' ' 19' ' ' THR . 11.2 m -59.19 -49.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.664 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 9.7 p30 -69.91 -31.83 69.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.048 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -63.04 -41.63 99.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.076 0.465 . . . . 0.0 110.209 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 50.9 mt-30 -80.91 -37.55 29.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.283 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 9.8 tmm? -66.1 -39.52 90.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.71 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -70.73 -28.78 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.285 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HE2' ' HA ' ' A' ' 50' ' ' GLN . 64.6 pttt -88.19 -0.71 57.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.706 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.8 ttm -70.13 -38.06 75.45 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 104.31 153.74 22.91 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.499 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.36 26.29 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.772 2.314 . . . . 0.0 112.15 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -163.11 84.02 1.44 Allowed Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.805 -177.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.435 ' CB ' HD21 ' A' ' 63' ' ' LEU . 38.0 Cg_endo -66.15 124.12 12.16 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.922 2.415 . . . . 0.0 113.403 -171.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.77 47.79 2.64 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.936 2.424 . . . . 0.0 112.483 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 63.54 -74.21 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -57.32 -22.59 43.06 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.12 -19.93 59.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 112.1 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 58' ' ' PRO . 85.5 mt -77.25 -41.98 38.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -177.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 19.1 ptt-85 -70.36 -14.1 62.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.1 -51.89 5.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.7 mtp -70.84 -27.29 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 11.5 p30 -63.42 -38.43 91.11 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.763 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 m -76.2 -29.13 57.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.512 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.93 -53.5 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.061 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -68.27 -43.98 76.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.059 0.456 . . . . 0.0 110.351 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.65 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.678 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.02 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.53 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mm-40 -76.09 -36.28 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.005 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 24.3 m -78.37 -17.29 13.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.66 -46.59 88.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.685 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.96 -27.33 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.905 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 86' ' ' TYR . 39.4 t -71.93 -40.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.021 178.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.5 m -66.8 -20.1 65.88 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.803 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 35.5 m -83.78 135.03 43.36 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.067 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 84' ' ' GLN . 17.1 Cg_exo -67.79 153.1 76.62 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.695 2.263 . . . . 0.0 112.272 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.57 25.6 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.536 2.824 . . . . 0.0 113.136 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' A' ' 82' ' ' PRO . 77.9 mt-30 -121.21 -6.18 9.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.473 0.654 . . . . 0.0 109.497 175.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -138.36 15.35 2.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.125 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' CE2' HG12 ' A' ' 78' ' ' VAL . 56.8 t80 -75.44 -47.77 25.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.295 -169.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -65.41 -29.05 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.534 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.21 85.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 93' ' ' ILE . 73.9 t -67.59 -42.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.048 177.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD21 ' HD3' ' A' ' 121' ' ' LYS . 3.1 tt -57.96 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.417 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.95 -37.31 86.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.8 m -59.64 -55.52 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.804 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.0 mm -56.23 -41.25 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -46.99 77.42 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.808 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.03 91.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.629 0.252 . . . . 0.0 110.964 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 25' ' ' CYS . 75.4 m -76.77 -0.33 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.99 -177.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.18 -33.84 9.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -63.94 -64.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.379 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -63.73 -35.73 81.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.755 -177.173 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.6 m -63.33 -35.44 80.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.713 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.8 ttt -63.82 -50.04 70.49 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.716 0.293 . . . . 0.0 111.017 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.0 ptp -71.34 -23.76 61.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.835 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 2.1 tp-100 -66.51 -26.01 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.227 0.536 . . . . 0.0 109.703 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.506 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.04 -63.19 1.45 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.787 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.0 t 169.84 -24.11 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.98 24.06 9.69 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.972 -171.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.8 p 47.91 -148.44 0.19 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.772 0.429 . . . . 0.0 110.708 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.87 101.13 11.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.33 144.77 35.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -81.96 -19.45 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.696 -172.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.68 -48.09 4.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.081 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 116' ' ' VAL . 76.3 t80 -60.27 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.59 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.3 p -60.75 -41.64 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.209 0.528 . . . . 0.0 110.583 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.43 -39.74 89.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.046 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.24 -47.81 80.88 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 123.201 0.6 . . . . 0.0 110.8 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.1 t -57.6 -48.21 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.619 ' O ' ' HD2' ' A' ' 121' ' ' LYS . 19.7 mmt -56.2 -52.88 62.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.1 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -54.78 -51.46 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.587 0.555 . . . . 0.0 111.024 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.422 ' HA ' ' HE3' ' A' ' 122' ' ' MET . 14.1 mt -61.02 -49.28 78.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.774 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 116' ' ' VAL . 67.9 t -59.56 -47.76 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.174 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.619 ' HD2' ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -62.96 -48.05 80.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.3 178.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.422 ' HE3' ' HA ' ' A' ' 119' ' ' LEU . 9.8 tmm? -65.86 -29.16 69.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.804 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.08 9.57 30.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.9 p -131.3 -61.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.188 179.797 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.973 -0.451 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 t -141.42 156.74 45.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.49 60.32 0.18 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.402 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -128.97 134.04 48.03 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.41 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 15.1 m -76.18 79.33 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.198 0.523 . . . . 0.0 110.944 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -108.99 98.4 29.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.319 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 5' ' ' SER . 4.0 Cg_endo -82.77 -83.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.676 2.251 . . . . 0.0 111.955 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.588 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.3 tt -128.92 -27.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.841 0.353 . . . . 0.0 110.748 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.484 ' HB2' HD22 ' A' ' 63' ' ' LEU . 59.0 m95 -74.13 73.79 1.74 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -132.64 -7.4 3.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.742 0.782 . . . . 0.0 109.96 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -155.32 120.92 2.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.674 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -48.89 -47.09 22.51 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.27 2.646 . . . . 0.0 113.121 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.49 94.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.841 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.412 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -68.07 -50.84 52.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.06 96.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.486 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.484 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -67.91 -26.59 66.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.842 177.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 53.1 m -61.82 -53.19 59.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.516 0.198 . . . . 0.0 110.891 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.588 ' SD ' HD13 ' A' ' 8' ' ' ILE . 22.4 ptt? -61.72 -37.49 84.39 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.603 -178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -63.18 -43.15 99.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.618 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.39 -39.79 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.778 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 90.1 m-20 -61.69 -35.65 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.762 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.92 -49.57 76.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.2 -45.24 96.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.026 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.5 pp0? -66.69 -33.22 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.612 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -68.57 -49.06 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.333 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -71.53 -27.87 63.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.498 -176.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -68.65 -23.88 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.091 0.472 . . . . 0.0 110.765 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -108.2 19.66 19.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.7 p -79.4 -39.07 33.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.93 2.48 88.43 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -96.71 -43.45 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.421 -0.39 . . . . 0.0 111.044 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 26' ' ' ALA . 79.5 mt -74.97 164.66 26.32 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.379 0.609 . . . . 0.0 111.56 -175.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -90.13 171.97 9.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.225 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -31.26 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.94 -48.85 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.871 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 40' ' ' MET . 75.8 mt-30 -61.74 -40.16 94.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.194 -176.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.3 mtm -67.72 -25.14 65.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.716 0.294 . . . . 0.0 111.213 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -88.59 -32.87 17.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.175 0.512 . . . . 0.0 109.944 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 42' ' ' MET . 10.2 t70 -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.883 176.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 87.2 mtp -65.73 -25.8 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.827 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.38 -49.43 56.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.709 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.4 ptp -69.99 -24.75 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.32 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.49 ' SD ' HG22 ' A' ' 74' ' ' VAL . 39.4 ttp -67.24 -49.27 65.07 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.896 174.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.37 83.28 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.648 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' HA ' HD21 ' A' ' 48' ' ' ASN . 29.4 t70 -59.27 -41.49 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.467 176.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 47.7 t -63.72 -38.77 92.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.496 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 43' ' ' MET . 59.1 t -60.39 -52.59 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.828 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.413 HD21 ' HA ' ' A' ' 45' ' ' ASP . 9.9 p30 -68.08 -24.58 65.07 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.318 -177.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -66.04 -50.74 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.908 0.385 . . . . 0.0 109.994 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 46' ' ' SER . 19.4 pt20 -77.95 -22.8 48.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.869 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -66.69 -34.32 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -74.17 -17.6 60.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 0.0 110.564 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 9.2 mmpt? -93.43 4.27 54.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.134 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.642 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 50.0 ttm -73.4 -38.35 65.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.647 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.43 154.07 18.88 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.737 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.76 131.75 30.34 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.784 2.323 . . . . 0.0 111.497 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 58.54 80.15 0.29 Allowed Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 -170.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.642 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 72.7 Cg_exo -51.23 114.13 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.778 2.985 . . . . 0.0 113.903 -171.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.65 139.27 27.87 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.582 2.188 . . . . 0.0 111.464 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.419 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 14.0 pt20 -64.22 -21.81 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -69.18 -18.34 63.91 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.396 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -88.26 -34.94 17.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.259 0.552 . . . . 0.0 109.718 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 9' ' ' TRP . 41.6 mt -68.11 -35.37 78.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.17 -175.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 60' ' ' GLN . 3.4 mpt_? -69.86 -17.85 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.06 -34.06 11.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.7 tpp -63.15 -40.81 98.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.324 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -58.08 -35.8 71.92 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.658 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.6 m -76.64 -37.31 56.54 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.357 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.17 82.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.745 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 74' ' ' VAL . 32.2 ttm -59.7 -52.99 63.13 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 109.752 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.55 -42.39 67.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.996 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.19 79.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.16 -31.46 25.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.008 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 70' ' ' MET . 70.9 t -67.45 -35.5 73.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 110.038 172.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -31.55 67.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.464 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.3 -44.92 92.49 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.505 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.96 -43.41 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.331 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -73.58 -33.63 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.049 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 -13.85 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.069 0.462 . . . . 0.0 111.312 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.7 m -84.77 -4.63 59.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.437 0.636 . . . . 0.0 110.204 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -91.19 137.45 26.31 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.994 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.68 158.53 53.2 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.482 2.121 . . . . 0.0 110.634 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.52 -26.62 46.21 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.877 2.385 . . . . 0.0 112.862 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -67.02 -44.05 81.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.164 0.507 . . . . 0.0 110.844 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -97.86 -12.66 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.621 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -50.92 -50.34 57.79 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.801 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -61.48 -37.18 82.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.654 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.03 -34.64 64.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.125 0.488 . . . . 0.0 110.522 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.71 -47.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.001 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -59.83 -42.25 93.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.052 178.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.6 -42.77 88.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.978 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.38 -50.45 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.1 mm -59.14 -48.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.956 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.75 73.22 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 113.38 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.82 -54.75 4.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.609 0.242 . . . . 0.0 110.809 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.5 m -60.58 -36.24 78.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.873 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.42 -40.76 95.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 109.879 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -65.6 -49.65 67.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.236 0.541 . . . . 0.0 110.589 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -54.55 -55.78 25.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.563 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -57.23 -36.22 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.892 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 43.6 mmm -54.69 -51.95 63.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 111.299 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.6 ptm -78.4 -27.15 46.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.414 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -75.31 -3.75 35.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.462 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.53 -68.11 0.74 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.445 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.7 t 178.68 -29.61 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.717 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.15 17.95 58.3 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.681 -171.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.3 m 60.42 -177.11 0.1 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.262 0.531 . . . . 0.0 110.701 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.32 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.764 0.793 . . . . 0.0 110.914 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.93 139.16 30.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.616 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -67.38 -35.24 78.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.65 -173.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 115' ' ' GLU . . . -60.75 -48.06 83.51 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.21 -45.39 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.9 p -66.59 -23.98 66.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 0.0 110.547 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -72.15 -52.17 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.266 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 54.2 mt-10 -57.4 -50.98 71.26 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.677 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 120' ' ' VAL . 87.2 t -57.43 -53.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -49.7 75.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.303 0.241 . . . . 0.0 111.366 -177.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -58.32 -50.41 73.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.42 -43.35 77.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.84 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.1 -50.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 120.725 0.298 . . . . 0.0 110.75 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.404 ' HG2' HD21 ' A' ' 90' ' ' LEU . 57.5 mtpt -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.952 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 50.9 ttp -67.09 -37.76 84.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.334 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.7 2.3 45.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.914 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.5 t -115.27 -29.94 6.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.628 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.29 93.75 8.77 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.66 0.743 . . . . 0.0 110.777 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -143.23 102.39 3.97 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.951 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.5 m 69.44 5.25 5.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.548 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.6 72.17 10.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.413 HD22 ' CD ' ' A' ' 130' ' ' GLU . 5.3 t30 -140.21 -46.64 0.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.848 -175.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.413 ' CD ' HD22 ' A' ' 129' ' ' ASN . 14.5 mp0 -113.33 127.49 56.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.521 171.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.2 p -171.78 160.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 p -69.37 -14.83 63.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.906 -0.568 . . . . 0.0 110.575 177.453 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m 59.01 79.5 0.22 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.177 0.513 . . . . 0.0 111.137 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.58 -174.45 24.61 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.04 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -135.89 2.91 2.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.823 0.344 . . . . 0.0 111.174 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -113.96 150.86 33.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.535 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.449 ' HB3' HG21 ' A' ' 10' ' ' THR . 30.4 mm-40 71.7 94.16 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 O-C-N 124.049 0.843 . . . . 0.0 111.161 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -70.91 -172.41 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.764 2.309 . . . . 0.0 112.977 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.573 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.4 tt -73.99 -6.8 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.307 -177.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -85.05 11.72 9.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.333 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.449 HG21 ' HB3' ' A' ' 6' ' ' GLN . 6.7 p -82.77 -15.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -135.69 118.2 12.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 99.6 Cg_exo -44.88 -48.4 10.8 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 123.602 2.868 . . . . 0.0 113.291 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.21 -34.71 78.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -49.01 58.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -64.65 -44.97 88.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.116 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.482 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -62.45 -33.85 75.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.078 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -59.25 -48.54 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.638 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.573 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.83 -29.16 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.012 -177.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -67.52 -49.93 61.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.701 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -69.09 -35.69 76.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.41 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.8 m-20 -66.61 -25.92 66.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.9 -46.41 65.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.13 -47.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.082 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.1 pp0? -60.85 -30.02 69.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.78 0.324 . . . . 0.0 110.789 -178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.56 -49.27 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.343 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.02 71.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.603 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 t -72.25 -15.3 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -113.92 10.27 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -70.15 -50.96 35.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.404 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.52 3.72 77.59 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.189 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -98.4 -37.86 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.446 0.641 . . . . 0.0 109.842 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.83 160.26 20.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.493 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.7 p -79.11 166.3 22.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.9 -27.58 68.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.705 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -78.46 -51.29 10.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.642 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.2 -36.01 74.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.406 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.3 mtm -69.69 -27.81 65.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.098 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -82.1 -33.15 29.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 109.983 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.68 -33.94 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.196 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.525 ' SD ' HG21 ' A' ' 77' ' ' VAL . 88.0 mmm -54.19 -44.75 71.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.869 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.03 71.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.614 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.0 mtm -69.15 -38.8 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.226 -0.189 . . . . 0.0 111.204 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -78.33 -29.94 47.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.067 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.48 76.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.469 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.86 -41.13 95.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.966 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 t -70.87 -30.91 67.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.688 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 43' ' ' MET . 90.8 t -59.21 -51.2 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.445 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.478 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 8.1 p30 -68.51 -34.19 75.44 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.507 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.1 m -60.74 -46.04 91.96 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 177.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 45.5 mt-30 -70.54 -34.94 72.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.798 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.766 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 6.6 tmm? -69.23 -39.9 78.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.602 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -71.6 -31.28 66.75 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.686 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 49' ' ' SER . 61.1 pttt -91.65 14.31 15.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.017 0.436 . . . . 0.0 111.001 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.9 ttm -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.49 143.79 5.82 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.133 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.11 125.79 13.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.683 2.256 . . . . 0.0 111.298 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 50.63 69.73 2.43 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.44 134.95 29.94 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.524 2.149 . . . . 0.0 113.405 -170.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.9 152.47 77.08 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 0.0 111.078 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.56 -21.61 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -76.77 -14.61 59.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.018 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -89.04 -31.44 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.72 -47.46 78.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.542 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -43.31 61.84 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.456 -174.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . -87.23 14.68 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -177.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 71.6 mmm -114.72 -43.11 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -44.58 96.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.002 0.429 . . . . 0.0 109.996 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.409 HG23 ' CD2' ' A' ' 119' ' ' LEU . 96.0 m -68.79 -31.82 71.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.819 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 65' ' ' ALA . . . -63.1 -52.49 62.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.585 -177.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 74' ' ' VAL . 59.7 ttp -62.64 -44.07 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 109.992 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.66 78.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.154 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.462 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -79.81 -27.07 40.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.134 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 70' ' ' MET . 99.6 t -69.67 -34.98 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -27.06 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.427 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.67 -45.68 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.467 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.525 HG21 ' SD ' ' A' ' 40' ' ' MET . 14.1 m -76.5 -28.79 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.634 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 74' ' ' VAL . 64.5 t -68.98 -27.29 34.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.323 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.0 -18.04 65.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -89.93 -2.28 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.383 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m -94.75 123.07 59.06 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.495 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.13 150.25 77.04 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.3 2.0 . . . . 0.0 111.749 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.65 -25.97 28.01 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.122 2.548 . . . . 0.0 113.199 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p -95.11 6.5 48.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.36 -42.81 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 51.3 m -75.58 4.72 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.745 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.31 -35.99 6.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 93' ' ' ILE . 99.7 t -71.86 -54.2 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.014 178.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.55 -37.99 79.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.558 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 87' ' ' SER . 6.2 t-20 -60.05 -46.02 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.284 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -61.95 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.937 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.2 mm -56.68 -54.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.77 95.89 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.454 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.51 75.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.797 0.332 . . . . 0.0 111.882 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.7 m -72.32 -40.08 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.299 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.0 -38.46 91.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.329 . . . . 0.0 110.287 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -55.34 -52.4 63.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.729 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.611 ' HG3' ' N ' ' A' ' 100' ' ' SER . 2.3 pt-20 -71.2 -37.8 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.068 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.611 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 60.0 m -56.5 -33.8 66.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.374 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.5 mmm -60.19 -48.33 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 14.5 ptm -80.89 -26.33 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.358 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.88 -10.55 59.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 110.623 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -89.93 -61.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.336 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.468 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.7 t 174.07 -28.81 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.3 27.4 9.44 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.996 -169.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 81.4 p 48.37 -158.27 0.05 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.964 0.506 . . . . 0.0 111.353 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.4 t -111.62 104.26 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.171 0.51 . . . . 0.0 109.77 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.16 -175.24 5.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -137.44 21.23 2.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.136 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.67 -50.54 2.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.261 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -68.36 -51.38 44.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.601 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.7 p -55.02 -41.12 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.368 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -48.8 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.26 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 119' ' ' LEU . 26.5 tt0 -59.18 -47.75 84.14 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.5 -45.67 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.769 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.493 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 9.1 mmt -70.55 -9.5 56.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -98.22 -54.58 3.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 115' ' ' GLU . 10.0 mp -62.05 -42.28 99.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.977 -175.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.34 -26.94 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.267 0.556 . . . . 0.0 110.476 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -88.39 -50.1 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.258 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -69.6 -36.36 76.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.3 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.6 mt -82.09 -1.42 48.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.371 . . . . 0.0 110.695 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -112.75 -71.08 0.77 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . 173.73 112.99 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.678 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -108.58 64.1 0.61 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.791 0.805 . . . . 0.0 109.177 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.5 m -119.74 8.5 11.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.921 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.6 63.9 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.55 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -97.62 -28.72 13.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.565 0.697 . . . . 0.0 109.14 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -100.67 105.6 16.98 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.324 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 41.0 t -91.95 89.96 3.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.2 m -78.76 81.46 5.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.166 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.865 -0.588 . . . . 0.0 110.399 176.093 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t 70.76 -61.3 0.48 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.36 0.664 . . . . 0.0 111.223 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.8 39.56 3.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.353 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -96.76 153.65 17.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.444 ' O ' HD23 ' A' ' 63' ' ' LEU . 48.6 m -85.16 -21.6 29.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.188 0.518 . . . . 0.0 110.058 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -121.16 102.13 43.74 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.523 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.27 -11.65 19.2 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.637 2.225 . . . . 0.0 113.05 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.415 HG12 ' SD ' ' A' ' 18' ' ' MET . 4.5 tp -178.25 -30.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 0.0 110.334 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -75.2 67.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.82 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -104.91 -30.97 9.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.518 0.675 . . . . 0.0 110.276 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -138.18 125.14 13.32 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.854 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.2 Cg_exo -46.2 -45.63 17.95 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.236 2.624 . . . . 0.0 112.912 177.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.52 -36.97 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.37 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HB ' ' A' ' 17' ' ' THR . . . -67.92 -45.32 74.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.586 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -65.58 -40.2 92.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.216 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -21.5 63.97 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.414 177.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 14' ' ' ALA . 94.9 m -60.99 -52.67 64.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.6 ptt? -65.18 -36.2 83.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.456 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -65.52 -44.84 85.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.622 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -67.91 -38.99 83.62 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.849 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.43 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.7 m-20 -62.77 -32.74 73.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.95 -44.55 89.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.209 0.528 . . . . 0.0 109.723 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.11 -47.49 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.954 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.9 pt20 -68.52 -24.85 64.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -75.09 -50.8 15.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.02 0.438 . . . . 0.0 110.053 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.2 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.1 t -71.59 -12.82 61.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.068 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -124.25 19.63 8.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 p -74.44 -39.78 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.697 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.27 -16.45 59.75 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.25 -49.04 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.09 0.472 . . . . 0.0 110.472 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.44 153.2 40.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.312 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 37' ' ' MET . 4.5 t -90.14 164.84 14.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.54 64.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.64 -46.51 85.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.109 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 40' ' ' MET . 77.0 mt-30 -66.28 -36.22 82.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.659 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 33' ' ' THR . 55.6 mtt -64.42 -32.03 73.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.793 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.18 -42.11 56.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -34.61 74.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 92.7 mmm -61.94 -33.38 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.63 -44.25 82.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.258 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.2 -21.11 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.283 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.407 ' HG2' ' HB3' ' A' ' 73' ' ' GLU . 14.5 tmm? -59.91 -46.22 90.06 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.33 82.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.657 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.3 -41.97 98.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.587 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.5 t -59.89 -50.15 74.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.019 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.45 -43.96 91.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.8 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -48.83 -53.03 20.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.171 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 t -62.06 -41.29 97.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.278 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 46' ' ' SER . 48.5 mt-30 -74.94 -33.29 61.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 0.0 110.95 -177.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.42 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 50.8 ttp -67.14 -26.5 66.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.76 -19.59 62.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.089 0.471 . . . . 0.0 110.607 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 10.3 mmpt? -90.45 -6.22 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.208 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.447 ' HB2' ' HE3' ' A' ' 54' ' ' MET . 41.5 ttm -66.13 -67.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.652 -178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.77 151.22 13.54 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.185 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.36 145.9 67.03 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.938 2.425 . . . . 0.0 112.816 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 p30 37.99 69.77 1.39 Allowed Pre-proline 0 N--CA 1.47 0.559 0 O-C-N 124.392 1.057 . . . . 0.0 112.996 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 62' ' ' ARG . 47.3 Cg_endo -95.13 148.94 1.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.256 2.637 . . . . 0.0 113.02 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HD2' ' HG3' ' A' ' 62' ' ' ARG . 17.1 Cg_exo -63.26 160.7 33.68 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.82 2.347 . . . . 0.0 112.264 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -39.55 42.96 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -70.82 -19.41 62.67 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.495 ' HG3' ' HD2' ' A' ' 59' ' ' PRO . 25.6 mmm180 -73.37 -37.04 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 110.224 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 5' ' ' SER . 2.1 mm? -78.87 -25.9 43.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.469 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.51 10.38 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.278 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.49 -1.58 14.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.175 0.512 . . . . 0.0 110.199 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.2 mmm -106.67 -23.03 12.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.814 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -52.1 -57.0 10.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.9 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.3 m -64.56 -33.92 77.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.999 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -50.73 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.388 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.9 ttp -73.3 -43.54 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.151 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 120' ' ' VAL . . . -51.12 -48.35 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.118 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.407 ' HB3' ' HG2' ' A' ' 43' ' ' MET . 5.5 mm-40 -76.97 -38.39 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.888 0.375 . . . . 0.0 110.573 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.03 -22.88 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.53 0.681 . . . . 0.0 109.885 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.0 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.463 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.13 -43.98 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.956 -175.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.0 m -71.65 -25.29 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 111.07 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.19 -28.57 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -23.25 66.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.063 0.458 . . . . 0.0 111.067 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -93.12 9.94 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.239 0.542 . . . . 0.0 110.893 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 m -94.41 125.26 52.68 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.72 147.7 69.94 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.696 2.264 . . . . 0.0 111.684 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.28 -42.28 27.46 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 123.418 2.745 . . . . 0.0 113.89 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -73.97 -36.89 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.846 0.355 . . . . 0.0 111.189 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.6 m -79.04 -18.2 53.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.556 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.35 -44.63 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.579 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.2 m -53.61 -39.12 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.76 -31.01 59.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 0.0 110.363 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.38 -11.49 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.922 0.868 . . . . 0.0 110.251 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -93.75 -57.29 2.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.421 174.463 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.86 -47.97 70.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.338 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -60.36 -51.12 70.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.671 0.272 . . . . 0.0 111.53 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.8 mm -58.76 -44.09 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.69 -43.34 94.48 Favored Glycine 0 C--N 1.329 0.143 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.683 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.2 75.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 93.6 m -59.61 -43.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.967 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 97' ' ' LEU . 1.1 tm? -64.04 -42.47 97.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.887 0.375 . . . . 0.0 110.206 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -40.93 84.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 177.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -72.07 -58.72 3.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.5 p -51.74 -38.95 57.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.989 -173.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.7 ttt -60.91 -51.07 70.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.47 -177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.8 ptm -79.07 -24.74 43.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.05 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.74 -11.91 61.22 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.112 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.69 -70.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.316 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.4 t 176.19 -36.71 0.01 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.692 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 30.32 3.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.211 -0.518 . . . . 0.0 113.338 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 101' ' ' MET . 71.4 p 50.92 -166.7 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.196 0.599 . . . . 0.0 110.945 -176.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.62 107.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.495 0.664 . . . . 0.0 110.174 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.7 148.08 45.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.763 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -78.81 -25.21 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.799 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.87 -45.1 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.168 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -56.51 -43.41 79.71 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.328 0.393 . . . . 0.0 111.641 -176.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.402 HG22 HD12 ' A' ' 97' ' ' LEU . 6.0 p -55.76 -55.95 26.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.352 0.596 . . . . 0.0 110.396 176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.66 -41.35 85.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.638 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -56.45 -59.2 5.32 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.914 0.886 . . . . 0.0 111.399 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 120' ' ' VAL . 12.1 p -68.36 -39.48 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 55.0 mmm -58.14 -52.26 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -63.25 -38.86 92.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 110.362 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.92 -43.31 98.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.752 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 116' ' ' VAL . 72.9 t -53.8 -44.91 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-O 121.085 0.469 . . . . 0.0 110.908 176.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 17.2 mmmt -73.6 -46.33 47.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.601 . . . . 0.0 110.677 -175.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.47 -27.83 69.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.737 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.8 mt -93.99 10.79 32.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.48 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.7 p -125.02 -60.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -154.58 107.41 2.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.476 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -106.99 72.52 0.89 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.362 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.2 m -153.17 -32.09 0.13 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.872 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.7 94.36 6.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.905 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -95.62 140.48 30.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.47 100.76 0.15 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 111.776 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.31 99.49 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-O 121.823 0.82 . . . . 0.0 110.486 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.6 m -110.16 84.52 1.94 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.272 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.244 176.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.195 -0.362 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -104.19 136.85 43.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.76 -2.42 11.51 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.678 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -109.25 164.93 12.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 p -74.47 73.85 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 111.58 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -137.69 98.5 9.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.975 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.41 -164.08 0.22 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.867 2.378 . . . . 0.0 112.136 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.419 HG12 ' HG2' ' A' ' 18' ' ' MET . 7.7 tp -58.17 -19.55 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.357 -176.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.445 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 64.5 m95 -83.89 33.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.307 -0.245 . . . . 0.0 110.646 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -61.46 -47.66 84.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.85 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.85 160.68 43.03 Favored Pre-proline 0 N--CA 1.442 -0.851 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 72.0 Cg_exo -47.67 -48.73 15.03 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.391 2.728 . . . . 0.0 113.728 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -62.07 -42.3 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.081 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.76 84.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 0.0 111.134 -174.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -74.49 -45.13 48.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.264 -177.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.591 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -65.25 -32.33 73.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -177.569 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 104' ' ' ALA . 53.2 m -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.432 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 0.0 OUTLIER -69.26 -33.67 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.17 -177.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.4 m -65.61 -45.99 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 0.0 110.758 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -72.44 -33.57 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.65 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.476 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.3 m-20 -64.95 -33.13 75.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.052 0.453 . . . . 0.0 110.424 176.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.2 tp -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.47 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.04 -49.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.876 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.476 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 3.2 pt20 -67.98 -31.29 70.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.925 0.393 . . . . 0.0 110.964 -175.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.38 -42.82 71.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.76 -29.51 51.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.588 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -67.95 -20.36 65.05 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.967 0.413 . . . . 0.0 111.297 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -123.97 28.73 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 110.612 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.0 p -74.39 -38.13 63.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.007 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.61 8.41 67.82 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.7 t -111.59 -49.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.932 0.396 . . . . 0.0 110.448 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.51 145.24 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.2 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -79.35 172.08 14.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.71 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.506 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.8 -50.66 10.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.241 0.543 . . . . 0.0 109.766 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -60.59 -37.75 82.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.513 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.2 ptp -74.48 -17.76 60.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.411 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -79.55 -33.6 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.261 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -60.72 -32.1 71.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.161 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.532 ' SD ' HG21 ' A' ' 77' ' ' VAL . 90.1 mmm -56.0 -45.11 79.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.658 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.69 57.18 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.707 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.6 ptp -67.04 -32.24 73.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.57 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -74.84 -33.46 62.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.043 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -59.68 -41.54 90.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.414 ' HA ' HD21 ' A' ' 48' ' ' ASN . 29.0 t70 -60.44 -44.78 95.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 110.336 176.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -59.52 -39.64 84.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.223 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 43' ' ' MET . 96.3 t -60.51 -53.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.757 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.498 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 12.0 p30 -68.96 -28.05 66.29 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.141 -0.623 . . . . 0.0 111.404 -177.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -61.36 -38.33 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 0.0 109.762 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 41.7 mt-30 -82.52 -23.79 34.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.886 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.723 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.0 tmm? -80.94 -30.26 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 111.242 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 49.6 mt-30 -74.84 -20.54 59.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.358 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -88.75 -9.02 53.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.17 174.661 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.419 ' HB3' ' O ' ' A' ' 51' ' ' MET . 33.2 ttm -72.07 -49.85 33.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.267 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.06 132.3 7.6 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.308 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.09 133.71 59.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.611 2.207 . . . . 0.0 111.671 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 60.13 69.15 1.25 Allowed Pre-proline 0 C--O 1.234 0.259 0 O-C-N 124.009 0.818 . . . . 0.0 109.355 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -84.44 156.45 12.46 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.826 2.35 . . . . 0.0 113.873 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.55 145.79 59.49 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.738 2.292 . . . . 0.0 111.553 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' CD ' ' H ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -44.97 -44.98 10.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.779 0.831 . . . . 0.0 113.089 -171.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -65.32 -19.0 65.76 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -79.14 -26.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.182 -0.324 . . . . 0.0 111.418 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 60' ' ' GLN . 2.9 mm? -70.77 -36.72 73.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.861 0.362 . . . . 0.0 110.764 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -61.59 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.455 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.95 -23.09 63.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.343 -172.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 63.3 mmm -85.12 -32.34 22.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.792 0.33 . . . . 0.0 111.283 -174.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -35.83 80.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.101 0.477 . . . . 0.0 109.85 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.558 HG23 ' CD2' ' A' ' 119' ' ' LEU . 77.3 m -74.51 -35.5 63.19 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.534 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.59 85.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -65.44 -43.46 90.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 110.135 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -35.04 69.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.597 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.47 67.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.582 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.73 -26.7 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.028 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 77' ' ' VAL . 57.5 t -72.86 -27.43 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.238 0.542 . . . . 0.0 110.069 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.99 67.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.394 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.19 -30.53 71.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.932 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -82.24 -22.1 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.5 -178.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.0 -32.01 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.8 -18.67 65.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.317 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -89.11 9.1 26.68 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.213 0.53 . . . . 0.0 111.172 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m -98.09 131.65 26.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.89 134.75 30.67 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.218 1.945 . . . . 0.0 111.449 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -42.69 -42.64 8.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.856 3.038 . . . . 0.0 114.353 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -62.48 -23.43 66.91 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -119.59 3.01 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -59.02 -44.2 91.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -56.29 -37.43 69.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.384 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.47 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.76 -42.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.621 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.23 -39.66 93.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.054 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -56.91 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.874 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -62.75 -53.33 55.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.772 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.3 mm -57.13 -48.55 81.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.246 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.43 -41.57 99.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.663 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -65.82 -52.14 53.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.41 -37.28 77.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.87 -41.31 83.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 111.31 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.9 ttm180 -64.04 -44.94 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.594 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 33.9 mm-40 -65.62 -56.15 13.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.424 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.51 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 34.9 p -53.9 -32.58 53.91 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.275 -174.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.28 -51.37 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.348 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.67 -18.25 31.76 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.775 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.51 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -67.11 -26.36 66.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.339 172.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.53 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -72.9 -70.53 0.35 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.726 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.5 t 167.4 -19.68 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 -176.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.72 7.61 81.51 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.055 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.4 m 62.65 173.61 0.14 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.282 0.563 . . . . 0.0 111.066 -175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -99.16 104.89 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 122.101 0.953 . . . . 0.0 109.667 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.07 168.58 15.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.626 -1.624 . . . . 0.0 112.093 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.21 -18.77 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.204 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.33 -52.31 3.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.329 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.27 -53.9 53.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.054 0.454 . . . . 0.0 110.769 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -17.86 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.067 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -89.52 -47.14 8.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.727 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.16 -53.7 41.04 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.67 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 120' ' ' VAL . 74.9 t -54.96 -46.26 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.425 ' O ' ' HD3' ' A' ' 121' ' ' LYS . 0.2 OUTLIER -59.13 -44.8 92.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.873 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.9 -48.06 82.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.444 . . . . 0.0 110.458 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.558 ' CD2' HG23 ' A' ' 68' ' ' THR . 8.5 mp -65.37 -42.91 92.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.84 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.0 t -53.51 -43.5 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.968 0.414 . . . . 0.0 110.5 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 117' ' ' MET . 35.4 mtpt -65.36 -50.82 64.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.684 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -76.79 -24.83 52.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.289 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.5 mt -89.44 2.2 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.238 -0.289 . . . . 0.0 111.118 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.0 p -117.78 -67.27 1.0 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -156.93 110.1 2.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.137 -176.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -93.28 6.11 49.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.109 0.957 . . . . 0.0 109.517 177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -87.96 29.28 0.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.383 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.21 11.3 10.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.362 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -63.69 135.87 57.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.135 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.5 mp0 -45.23 108.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.825 0.703 . . . . 0.0 111.64 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 133' ' ' THR . 7.3 p -92.72 113.79 28.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.513 0.673 . . . . 0.0 110.252 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.2 m -81.41 76.75 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.203 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 131' ' ' VAL . 11.2 t . . . . . 0 C--O 1.244 0.79 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.765 175.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -76.3 115.21 15.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.836 0.35 . . . . 0.0 110.604 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.14 124.72 26.03 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.025 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 t30 72.79 -69.14 0.2 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.355 0.662 . . . . 0.0 112.159 174.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -80.65 127.17 32.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.0 0.429 . . . . 0.0 111.545 -174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 67.71 85.23 0.15 Allowed Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.99 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -91.58 -159.53 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.646 2.897 . . . . 0.0 112.053 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 tt -77.89 -6.53 9.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.897 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -78.49 16.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.128 -0.358 . . . . 0.0 111.471 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.54 -22.88 40.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -132.65 114.67 14.39 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.146 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.773 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 87.9 Cg_exo -47.2 -45.15 22.58 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.5 2.8 . . . . 0.0 113.584 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.54 -40.73 96.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 0.0 110.491 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.61 74.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.694 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.36 82.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.544 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.714 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -62.09 -28.51 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 104' ' ' ALA . 99.1 m -60.62 -50.28 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -29.47 63.49 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.389 -176.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -66.61 -44.35 82.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 110.598 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -69.47 -42.47 74.82 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.33 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.1 m-20 -61.42 -33.7 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.834 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.75 -47.63 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.078 0.466 . . . . 0.0 110.209 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.61 -44.96 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.998 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 2.6 pt20 -66.67 -34.84 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 110.382 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.95 -41.25 82.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 109.974 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -70.63 -26.84 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.467 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.9 m -76.24 -30.09 57.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.148 0.499 . . . . 0.0 110.892 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -98.8 15.86 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.002 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -73.31 -50.35 22.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.29 -3.09 79.39 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -99.9 -38.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.405 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 ' HB1' ' A' ' 26' ' ' ALA . 9.8 mp -76.52 163.17 27.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.044 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' HG3' ' A' ' 37' ' ' MET . 80.3 p -93.98 166.62 12.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.655 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.85 73.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.01 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.78 -48.07 70.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -64.2 -37.18 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.671 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 33' ' ' THR . 30.2 mtt -69.25 -38.5 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.841 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.741 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.21 -31.61 71.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.961 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 37' ' ' MET . 74.6 mmm -58.81 -41.55 87.03 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.263 0.554 . . . . 0.0 110.177 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.76 -42.38 95.24 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.875 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.24 -31.85 72.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.984 0.421 . . . . 0.0 110.513 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.504 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.4 tmm? -60.48 -56.59 19.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.973 174.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.63 76.15 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.58 -48.51 63.15 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.84 0.713 . . . . 0.0 111.167 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 34.6 t -72.99 -33.82 66.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 43' ' ' MET . 87.0 t -56.73 -51.13 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.735 -176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.714 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 7.5 p30 -66.04 -32.19 73.51 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.267 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -60.9 -54.18 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 46' ' ' SER . 13.0 pt20 -73.63 -32.93 64.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.773 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 15.3 tmm? -72.47 -39.97 67.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -72.29 -36.72 69.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.529 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -81.78 11.15 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.749 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 19.1 ttp -76.69 -21.31 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 109.908 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.93 151.24 21.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.476 171.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.61 131.36 22.72 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.786 2.324 . . . . 0.0 111.034 174.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 59.39 75.53 0.5 Allowed Pre-proline 0 N--CA 1.464 0.24 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.87 139.17 42.65 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.786 2.324 . . . . 0.0 113.127 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -66.71 137.84 47.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.253 1.969 . . . . 0.0 110.384 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -59.01 -31.42 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -169.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -62.31 -29.81 70.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.148 0.431 . . . . 0.0 111.089 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.749 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 17.0 mmt180 -69.48 -31.74 70.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.197 0.522 . . . . 0.0 110.398 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.9 -1.11 13.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.045 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -96.53 -53.73 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.839 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.31 -28.18 66.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.249 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 94.6 mmm -61.56 -33.06 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.09 -49.27 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 m -61.63 -41.29 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.595 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.58 -52.21 65.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.474 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 74' ' ' VAL . 58.0 ttp -67.4 -44.24 79.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.157 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.25 86.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.645 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.72 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.577 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 9.2 mm-40 -80.33 -38.06 31.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 70' ' ' MET . 48.6 t -66.44 -26.93 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.333 0.587 . . . . 0.0 109.906 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -24.77 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.535 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.15 -48.5 78.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 74' ' ' VAL . 26.6 m -70.27 -26.57 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.388 . . . . 0.0 111.24 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.34 -30.77 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.912 0.387 . . . . 0.0 110.71 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -15.66 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.614 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 m -85.87 5.17 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.799 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -99.76 130.03 27.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.513 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.58 162.5 41.16 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.425 2.083 . . . . 0.0 111.404 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.6 12.09 0.26 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.163 2.576 . . . . 0.0 113.704 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -105.05 -61.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.061 0.457 . . . . 0.0 110.351 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 p -84.21 0.99 46.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.506 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.63 -42.3 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 15.1 m -69.51 -6.87 33.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.071 -178.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.89 -33.58 8.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 93' ' ' ILE . 61.5 t -75.56 -55.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.155 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.98 -39.39 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.841 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' ' 87' ' ' SER . 7.0 t-20 -52.99 -48.28 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.321 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 m -62.8 -45.26 93.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.83 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -56.51 -50.88 71.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.75 -44.52 97.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.46 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.43 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.18 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.107 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.05 -45.25 95.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 99.2 mtt180 -58.96 -50.5 73.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.85 -55.06 39.21 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.794 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.6 m -49.98 -40.61 44.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.064 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 56.5 mmm -60.12 -51.89 67.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.759 0.314 . . . . 0.0 111.731 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.3 ptm -77.56 -24.63 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.365 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -76.91 -19.29 57.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.581 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -75.05 -63.81 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 8.9 t 168.97 -24.72 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.726 0.641 . . . . 0.0 111.139 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.56 20.64 13.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.924 -172.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.5 p 51.85 -165.91 0.05 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.247 0.619 . . . . 0.0 111.237 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.27 97.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.07 161.72 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.292 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -91.02 -28.82 17.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.76 -51.79 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.152 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -58.53 -55.77 30.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 110.581 -177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -18.05 60.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.736 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.25 -48.88 5.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.41 -43.1 91.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 122.867 0.467 . . . . 0.0 111.368 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 120' ' ' VAL . 74.5 t -59.29 -44.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.681 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -45.86 90.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.558 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 118' ' ' GLN . 6.5 tp60 -61.78 -45.42 93.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.88 -48.81 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.424 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 116' ' ' VAL . 69.7 t -56.16 -39.75 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.163 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -75.2 -48.64 22.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.918 0.39 . . . . 0.0 111.211 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -69.31 -34.9 75.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.629 -175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.38 -4.04 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.947 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.4 t -103.43 -65.34 1.01 Allowed 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 121.203 0.525 . . . . 0.0 109.715 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -169.26 105.77 0.39 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.386 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -93.55 -7.93 42.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.069 0.938 . . . . 0.0 109.599 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.1 m -93.61 -9.99 36.16 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.204 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.95 76.64 8.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.408 0.623 . . . . 0.0 110.195 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -94.17 141.78 28.16 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.424 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -47.85 108.64 0.17 Allowed 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.715 0.634 . . . . 0.0 110.236 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.0 p -76.7 127.96 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 121.766 0.793 . . . . 0.0 111.127 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.1 p -107.17 77.21 1.14 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.163 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.201 177.147 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.88 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -146.44 126.89 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.737 0.303 . . . . 0.0 110.195 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.69 150.9 5.86 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.002 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -114.39 35.82 4.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.105 0.479 . . . . 0.0 109.985 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t 69.01 12.82 8.71 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.623 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.644 ' HB3' ' OG1' ' A' ' 10' ' ' THR . 65.3 mm-40 -123.08 101.39 38.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.792 0.33 . . . . 0.0 111.578 -176.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.485 ' HD2' HD12 ' A' ' 63' ' ' LEU . 98.8 Cg_endo -93.63 87.07 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.53 2.82 . . . . 0.0 114.048 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 7' ' ' PRO . 18.3 tt 62.42 -32.48 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 126.254 1.822 . . . . 0.0 115.727 167.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.11 15.58 1.48 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.644 ' OG1' ' HB3' ' A' ' 6' ' ' GLN . 6.3 m -71.34 -32.48 68.6 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.287 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -139.41 140.64 26.27 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.065 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.618 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.3 Cg_endo -53.58 -46.94 30.06 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.719 2.946 . . . . 0.0 113.798 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -62.93 -37.22 86.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.019 -175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.64 55.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.161 0.505 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -45.44 68.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.949 -176.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.529 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -61.54 -34.44 75.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.3 m -58.92 -54.15 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -28.72 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.145 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.7 m -69.18 -46.75 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -72.73 -32.38 65.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.651 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.512 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 96.3 m-20 -66.24 -31.62 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 110.338 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD22 HD23 ' A' ' 97' ' ' LEU . 45.4 tp -63.06 -45.91 89.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.651 176.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.5 -48.08 90.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 12.0 pt20 -65.93 -31.56 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.722 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.2 t -75.53 -46.95 29.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.43 46.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 0.0 112.025 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -71.46 -17.9 62.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.391 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -112.94 23.1 13.76 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.564 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -80.72 -34.17 34.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.681 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.7 0.23 75.84 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -97.35 -41.48 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 111.207 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -72.25 164.67 25.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.341 0.591 . . . . 0.0 111.43 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 37' ' ' MET . 18.4 p -90.21 168.88 11.59 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.212 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -30.93 69.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.612 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -56.03 6.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.211 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 40' ' ' MET . 93.2 mt-30 -55.65 -43.33 76.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.663 -177.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 33' ' ' THR . 74.8 mtm -62.43 -41.87 99.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.459 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.56 -35.72 39.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.853 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.1 m-20 -67.43 -25.4 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 69.5 mmm -62.47 -33.76 75.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.109 0.48 . . . . 0.0 110.283 172.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.36 84.93 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.132 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.9 ptp -70.6 -21.95 62.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.894 0.378 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.3 tmm? -65.18 -52.23 56.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.83 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.218 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.44 ' HA ' HD21 ' A' ' 48' ' ' ASN . 17.7 t70 -58.93 -42.93 90.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.39 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 31.4 t -66.87 -39.99 87.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.752 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 43' ' ' MET . 63.9 t -57.2 -51.5 68.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.685 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.529 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 11.1 p30 -70.51 -26.61 63.66 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.085 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.8 t -60.26 -50.49 73.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' SER . 55.7 mt-30 -71.02 -47.27 59.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.959 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.3 tmm? -60.6 -42.59 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.496 -176.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.16 -17.18 61.4 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.362 -177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' SER . 65.1 mttm -89.28 -21.09 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.843 0.354 . . . . 0.0 110.155 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 40.1 ttp -65.6 -45.83 81.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.703 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 114.87 168.3 15.75 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.129 174.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.9 134.73 8.48 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.132 2.555 . . . . 0.0 112.503 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.469 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 47.2 m-80 53.55 63.39 8.12 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.498 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HG3' ' O ' ' A' ' 55' ' ' GLY . 1.9 Cg_endo -86.44 170.77 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.124 2.549 . . . . 0.0 112.072 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.492 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 Cg_exo -62.83 139.76 76.24 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.569 2.179 . . . . 0.0 112.166 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.16 -37.04 76.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -66.74 -20.33 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.587 0.232 . . . . 0.0 111.183 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -83.81 -38.78 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 109.843 175.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 59' ' ' PRO . 16.1 mt -67.83 -39.18 83.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.702 0.763 . . . . 0.0 109.802 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -78.44 3.91 14.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.243 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.67 -9.39 12.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.544 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mmm -74.16 -23.33 59.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 109.868 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -60.07 -29.21 68.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.404 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.481 ' HA ' HD13 ' A' ' 119' ' ' LEU . 25.9 m -75.75 -40.89 54.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.31 76.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.435 ' O ' HG23 ' A' ' 74' ' ' VAL . 27.2 ptm -69.31 -43.0 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.752 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.734 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.47 98.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 111.0 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.94 -35.27 79.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 70' ' ' MET . 63.5 t -74.25 -38.15 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.05 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -53.65 -57.02 12.28 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.308 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -31.19 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.932 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.0 t -70.73 -37.65 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.45 -7.54 38.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.459 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.6 m -94.52 6.98 47.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.514 0.673 . . . . 0.0 110.278 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -96.67 126.47 43.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -57.52 150.41 60.46 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.501 2.134 . . . . 0.0 111.42 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -43.6 -49.56 7.73 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.554 2.836 . . . . 0.0 114.064 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -67.12 -41.85 85.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.39 . . . . 0.0 111.468 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.83 -21.94 46.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' CE2' HG12 ' A' ' 78' ' ' VAL . 38.9 t80 -54.92 -45.45 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.355 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -57.54 -40.65 79.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.11 76.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.317 0.579 . . . . 0.0 110.448 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.1 t -69.24 -50.08 55.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.481 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -44.47 96.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.024 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.17 -41.25 87.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.75 0.31 . . . . 0.0 110.648 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -62.05 -49.74 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.653 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 89' ' ' VAL . 50.8 mm -56.75 -49.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -63.32 -42.14 99.29 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.187 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 79.8 m -66.66 -41.45 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.687 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.513 HD23 HD22 ' A' ' 22' ' ' LEU . 1.6 tm? -56.73 -39.52 74.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -178.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 83.1 mtt-85 -60.64 -58.63 7.64 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 111.164 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -65.07 -38.78 91.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.368 -176.318 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.5 m -57.66 -43.11 84.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 37.2 mmm -60.58 -43.31 97.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.54 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.479 ' HA ' ' HA ' ' A' ' 107' ' ' SER . 3.0 ppp? -82.94 -24.48 33.0 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.48 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.448 HE21 ' HB2' ' A' ' 103' ' ' GLN . 2.4 mt-30 -78.31 -3.58 43.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.12 176.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.47 -83.64 0.1 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 105' ' ' THR . 6.0 t 166.47 93.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 122.592 1.187 . . . . 0.0 108.831 -173.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 142.77 -11.84 2.4 Favored Glycine 0 C--N 1.303 -1.301 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 102' ' ' MET . 25.3 p 75.37 165.61 0.27 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.852 -1.174 . . . . 0.0 111.022 174.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -76.69 93.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.936 0.874 . . . . 0.0 111.22 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.18 148.46 44.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.165 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -89.04 -17.66 28.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.879 -173.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.34 -49.86 5.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 0.0 110.932 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.73 -47.82 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.14 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.2 p -59.93 -48.61 81.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -57.0 -45.71 82.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.246 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -62.77 -53.12 59.25 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.715 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 120' ' ' VAL . 4.7 p -65.5 -36.04 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.526 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 3.1 mmt -60.08 -52.56 64.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.39 174.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -55.03 -47.74 74.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.669 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 68' ' ' THR . 13.1 mt -66.65 -47.23 73.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.232 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.8 t -56.16 -44.65 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.119 0.485 . . . . 0.0 110.688 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.29 -45.68 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.668 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -85.64 -0.65 55.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 p -113.47 -52.56 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.461 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -168.66 132.38 1.48 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.732 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -70.35 -7.09 40.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.574 0.702 . . . . 0.0 110.758 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.6 m -70.61 -5.43 29.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.309 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.89 34.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.999 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -61.6 -26.44 67.98 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.55 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.81 133.88 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.117 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 5.5 p -127.14 84.2 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.434 1.111 . . . . 0.0 110.025 176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.5 t -126.56 24.03 6.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.809 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 36.3 p . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.983 -175.51 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 p -83.22 146.5 28.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.8 0.333 . . . . 0.0 110.274 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.77 -134.42 11.3 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -173.19 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.762 0.281 . . . . 0.0 110.627 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -134.18 12.79 3.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.447 0.641 . . . . 0.0 109.993 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -127.52 103.33 22.34 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.913 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -78.97 -170.14 0.94 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.952 2.435 . . . . 0.0 113.417 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.9 tp -64.74 -25.2 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.348 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.61 18.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 p -89.4 -4.6 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 0.0 110.469 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 24.4 t-20 -143.69 115.19 5.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.898 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.19 -53.4 7.19 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.274 2.65 . . . . 0.0 113.378 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -62.76 -38.7 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.653 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 11' ' ' ASN . . . -66.78 -42.15 86.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.677 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.38 86.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.178 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.565 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -63.91 -30.75 71.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.318 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -59.05 -52.46 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.31 69.81 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.26 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -64.03 -45.95 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.033 0.445 . . . . 0.0 110.418 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -68.19 -34.99 77.31 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.538 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 74.7 m-20 -62.92 -36.03 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.709 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.42 -50.39 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.845 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 1.5 pp0? -67.16 -37.99 84.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.883 -176.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -66.2 -43.6 86.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.799 0.333 . . . . 0.0 110.271 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.362 . . . . 0.0 110.943 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -76.15 -27.41 57.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.086 0.469 . . . . 0.0 110.356 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 4.8 mmp_? -102.41 11.48 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -70.51 -62.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.068 0.461 . . . . 0.0 110.899 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.71 34.19 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.04 -30.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.651 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 56.1 mt -84.53 178.51 7.69 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.717 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 37' ' ' MET . 8.9 t -112.73 163.8 14.14 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.384 . . . . 0.0 110.498 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.5 -46.07 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.739 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' H ' HG23 ' A' ' 33' ' ' THR . 93.9 mt-30 -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.011 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.4 mtt -68.92 -26.28 65.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.99 -39.78 69.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.143 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 42' ' ' MET . 27.9 m-20 -65.11 -28.57 69.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.04 -30.95 69.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.606 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 -49.36 55.85 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.677 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.5 ptp -67.81 -27.09 66.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.9 0.381 . . . . 0.0 110.547 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.503 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.9 tmm? -64.17 -52.28 59.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.21 78.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.017 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' HA ' HD21 ' A' ' 48' ' ' ASN . 7.9 t70 -54.02 -47.8 71.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.92 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -69.62 -32.17 70.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.146 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 43' ' ' MET . 84.5 t -62.91 -49.97 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.798 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.565 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 6.4 p30 -64.57 -38.56 91.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.5 t -57.54 -43.51 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 110.473 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.44 -26.06 60.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.204 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -77.53 -38.35 48.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 65.8 mt-30 -65.63 -36.17 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.726 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.54 19.77 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.142 0.496 . . . . 0.0 110.896 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.528 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 53.5 ttm -78.62 -38.5 39.68 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.49 148.71 17.48 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.036 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.18 130.78 23.48 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.771 2.314 . . . . 0.0 111.5 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 53.01 68.53 2.93 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-O 121.441 0.638 . . . . 0.0 109.282 -172.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.528 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 73.9 Cg_endo -71.5 149.87 56.71 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.257 2.638 . . . . 0.0 114.243 -166.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 11.0 Cg_exo -70.83 152.71 63.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.02 2.48 . . . . 0.0 112.32 175.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -48.45 -56.49 8.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.685 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -59.81 -23.4 63.29 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' MET . 14.8 mmm180 -71.87 -31.98 67.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.086 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.502 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.0 mp -83.73 -38.28 21.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.405 0.622 . . . . 0.0 109.981 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -68.52 -17.5 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.39 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.73 -10.85 28.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 88.9 mmm -80.43 -24.83 39.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 111.265 -174.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -67.55 -24.76 65.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.416 ' HA ' HD13 ' A' ' 119' ' ' LEU . 24.6 m -89.3 -37.49 14.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.156 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.37 57.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.476 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.67 -43.32 80.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.14 0.495 . . . . 0.0 110.626 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.9 80.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.64 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.23 -24.96 20.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.786 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 p -76.48 -20.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 124' ' ' SER . . . -64.17 -20.58 66.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.477 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.621 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.16 -30.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.779 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.1 t -74.71 -41.35 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.78 -20.28 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.348 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -100.06 9.79 42.3 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.47 0.653 . . . . 0.0 110.514 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.0 m -91.54 134.18 29.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.324 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.69 131.58 46.65 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.601 2.201 . . . . 0.0 111.617 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -45.03 -36.32 11.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.733 2.955 . . . . 0.0 114.114 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.36 -35.01 79.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.81 0.338 . . . . 0.0 111.522 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.0 m -99.16 -5.7 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.723 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -54.7 -48.31 72.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.477 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -38.55 85.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.6 78.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.187 0.517 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 93' ' ' ILE . 77.0 t -65.26 -46.44 90.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.681 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.9 mt -59.72 -44.28 93.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.52 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -59.5 -41.2 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.035 0.445 . . . . 0.0 110.657 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.9 m -66.18 -51.12 60.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.067 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.0 mm -52.84 -47.38 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.686 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.415 ' HA2' ' SD ' ' A' ' 117' ' ' MET . . . -59.7 -46.71 93.57 Favored Glycine 0 C--N 1.33 0.226 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.875 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.99 -47.17 86.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.943 0.402 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.5 m -62.63 -44.69 95.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.32 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.571 HD12 HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -62.71 -40.96 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.128 0.489 . . . . 0.0 109.985 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -51.05 71.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.852 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.17 -39.41 49.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.037 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.436 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 29.7 p -55.77 -39.53 71.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.53 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 52.0 mmm -53.05 -51.78 60.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.8 ptm -79.96 -25.8 40.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.052 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.73 -22.58 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.018 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.566 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -73.69 -67.14 0.62 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.659 175.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 160.41 -14.13 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.877 0.736 . . . . 0.0 110.793 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.38 12.75 63.9 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.911 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 66.7 m 63.12 176.42 0.15 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.123 0.487 . . . . 0.0 111.473 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.65 108.45 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.176 0.988 . . . . 0.0 110.67 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -75.89 174.13 10.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.097 -1.411 . . . . 0.0 110.545 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -124.36 6.94 8.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.694 0.283 . . . . 0.0 110.946 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.689 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -109.12 -58.64 2.0 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.032 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -58.31 -49.04 78.59 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.262 0.553 . . . . 0.0 110.394 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.571 HG23 HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -60.13 -29.15 68.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.612 178.166 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 111' ' ' ALA . 5.9 t30 -77.1 -44.6 29.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.577 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 35.5 mm-40 -51.91 -53.08 44.99 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.92 175.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 120' ' ' VAL . 80.4 t -56.94 -48.94 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.664 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.415 ' SD ' ' HA2' ' A' ' 94' ' ' GLY . 53.4 mmm -76.36 13.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -119.91 -43.3 2.56 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 167.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 68' ' ' THR . 18.9 mt -64.27 -41.7 96.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 116' ' ' VAL . 87.1 t -57.92 -35.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.713 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -72.86 -47.44 46.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.507 0.67 . . . . 0.0 110.745 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.8 ttp -71.92 -31.83 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.242 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.4 mt -90.97 10.52 26.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.629 0.252 . . . . 0.0 111.443 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.453 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 24.9 p -121.42 -67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . 179.7 97.93 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.647 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -88.83 65.18 7.55 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.688 0.756 . . . . 0.0 109.438 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.4 m -121.79 -2.36 9.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.919 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.95 6.62 25.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.839 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -67.68 -38.4 83.67 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -101.96 100.11 10.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.686 169.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.31 100.13 3.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.739 0.78 . . . . 0.0 110.825 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 t -139.91 87.99 2.2 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.285 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.875 174.349 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.574 ' HB2' ' O ' ' A' ' 5' ' ' SER . 16.1 m 59.46 27.34 16.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.908 0.483 . . . . 0.0 111.764 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.76 34.28 16.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.767 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 66.03 25.76 10.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.584 0.706 . . . . 0.0 110.197 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 2' ' ' SER . 17.5 p -158.62 169.02 25.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.797 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 59.84 86.01 0.17 Allowed Pre-proline 0 N--CA 1.453 -0.319 0 O-C-N 123.732 0.645 . . . . 0.0 111.261 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.525 ' HD2' HD23 ' A' ' 63' ' ' LEU . 2.9 Cg_exo -76.22 -165.0 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.246 2.631 . . . . 0.0 112.612 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.442 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.7 tt -69.5 -7.47 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.548 -174.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -82.7 57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.354 0.597 . . . . 0.0 109.844 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 -45.9 4.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.799 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -138.69 137.61 20.32 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.443 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 80.6 Cg_exo -42.07 -54.43 2.98 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 124.155 3.237 . . . . 0.0 114.109 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.29 -45.44 65.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.664 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.86 41.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.467 -172.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.4 87.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.938 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -65.06 -29.27 70.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.256 -178.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -58.81 -53.29 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.3 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.442 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.24 -34.84 76.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.25 -176.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -63.33 -47.56 81.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.157 0.503 . . . . 0.0 110.835 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -69.35 -32.05 70.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.261 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.48 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 87.5 m-20 -66.89 -26.92 67.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 110.779 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.01 -41.32 86.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.97 -48.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.987 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.48 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 5.0 pp0? -64.76 -26.47 68.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.8 t -81.8 -47.22 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.817 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 1.09 38.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -100.48 -19.55 16.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.161 0.982 . . . . 0.0 108.947 176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.77 -14.58 15.49 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.943 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.0 p -61.55 -41.29 97.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.147 177.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.06 6.91 81.34 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.964 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.494 HG13 HD12 ' A' ' 32' ' ' LEU . 2.8 p -96.89 -19.17 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.974 0.416 . . . . 0.0 110.531 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD12 HG13 ' A' ' 31' ' ' VAL . 10.7 mp -86.81 165.85 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.757 175.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.7 p -88.82 168.7 12.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.662 0.268 . . . . 0.0 110.515 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.09 70.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 0.0 109.924 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.35 -55.21 9.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.723 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 40' ' ' MET . 73.8 mt-30 -56.33 -43.54 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.219 -174.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.6 ptp -68.44 -22.85 64.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.33 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -80.96 -39.86 25.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -34.26 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.394 176.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 93.2 mmm -58.5 -34.02 70.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.94 -52.21 39.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.214 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 ptp -67.38 -27.22 66.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.08 0.467 . . . . 0.0 110.331 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.585 ' SD ' HG12 ' A' ' 74' ' ' VAL . 34.1 ttp -63.17 -47.79 81.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.386 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.28 88.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.838 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.31 -47.1 82.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.564 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t -56.88 -38.69 73.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -67.21 -52.53 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.528 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.655 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 10.7 p30 -69.08 -32.92 72.71 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.71 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.602 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 24.3 t -62.39 -48.36 80.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.092 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.57 -31.42 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.797 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.553 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 10.9 tmm? -74.49 -28.93 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 78.0 mt-30 -68.52 -40.28 80.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 110.264 175.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' A' ' 49' ' ' SER . 13.3 mptt -76.01 -8.95 58.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.739 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.54 ' HB3' ' O ' ' A' ' 51' ' ' MET . 31.4 ttm -73.35 -52.59 13.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.656 173.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.38 145.41 18.14 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.504 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.4 127.15 18.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.66 2.24 . . . . 0.0 111.371 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 60.75 70.56 0.94 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.28 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.447 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 61.0 Cg_endo -95.68 174.29 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.605 2.87 . . . . 0.0 113.083 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.84 142.17 68.31 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.233 1.955 . . . . 0.0 111.578 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -52.75 -36.09 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.631 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -66.3 -24.24 66.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' A' ' 66' ' ' MET . 8.2 mmt180 -70.64 -33.11 70.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.995 0.426 . . . . 0.0 110.211 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.525 HD23 ' HD2' ' A' ' 7' ' ' PRO . 6.0 mp -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.235 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.9 ttt85 -79.61 -11.61 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.109 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.36 -10.11 45.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.965 0.412 . . . . 0.0 111.333 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.0 mmm -89.45 -30.87 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -174.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.4 -44.34 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.854 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 m -63.03 -47.54 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.838 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -63.29 -47.95 80.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.759 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -68.62 -41.85 78.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.0 70.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.137 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.58 -24.55 49.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.1 mm-40 -76.41 -45.55 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.499 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.585 HG12 ' SD ' ' A' ' 43' ' ' MET . 32.9 m -67.75 -24.64 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.326 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.47 -28.49 69.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.721 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -45.2 91.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.674 -176.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 74' ' ' VAL . 34.2 m -72.87 -34.44 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.798 0.332 . . . . 0.0 111.037 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.68 -39.11 75.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.589 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.34 -6.33 34.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.418 . . . . 0.0 111.46 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -91.57 -7.08 51.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.366 0.603 . . . . 0.0 110.133 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.2 m -94.91 130.8 31.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.644 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.5 157.5 46.01 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.76 2.306 . . . . 0.0 111.468 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -44.15 -49.01 9.02 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.362 2.708 . . . . 0.0 114.387 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.07 -36.56 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 m -90.38 -14.17 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.176 0.512 . . . . 0.0 110.467 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -57.4 -56.56 20.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.582 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -65.91 -27.58 68.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.324 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.93 82.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.237 0.541 . . . . 0.0 109.834 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 93' ' ' ILE . 92.0 t -72.06 -40.7 67.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.982 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.7 -52.55 63.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.653 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -57.17 -40.64 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.588 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.3 m -62.25 -41.92 98.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.788 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 49.2 mm -58.35 -49.68 81.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.26 -36.13 84.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.635 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.87 -45.92 73.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.701 0.286 . . . . 0.0 110.885 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.87 7.0 22.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.309 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -111.0 -21.42 12.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 176.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 108' ' ' VAL . 38.2 ptt180 -79.86 -48.69 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.479 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -38.75 63.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.383 . . . . 0.0 111.431 -176.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.6 p -56.93 -32.63 66.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.49 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.427 ' HB3' ' O ' ' A' ' 107' ' ' SER . 58.1 mmm -62.39 -46.79 87.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.529 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.6 ptp -76.37 -30.94 57.77 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.22 -13.5 62.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 175.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.96 -64.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.036 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.4 t -179.88 -49.9 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.12 34.16 2.85 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.028 -0.606 . . . . 0.0 114.408 -167.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 101' ' ' MET . 21.9 m 54.6 -164.41 0.11 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 111.321 178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 98' ' ' ARG . 32.7 t -94.91 89.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.41 133.47 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.118 -174.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -74.1 -21.36 59.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.996 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.06 -47.06 5.65 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.312 -0.155 . . . . 0.0 110.805 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.2 -61.62 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.312 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.0 p -58.61 -37.96 76.98 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.095 0.474 . . . . 0.0 110.853 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.52 -50.53 64.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.577 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.28 -43.51 81.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.768 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 120' ' ' VAL . 79.6 t -59.12 -48.38 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.274 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.8 mmt -53.96 -49.5 68.61 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -57.1 -50.04 74.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.659 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.26 -48.82 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.92 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 116' ' ' VAL . 95.3 t -55.72 -55.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.7 0.286 . . . . 0.0 110.669 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.45 -37.75 73.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.207 0.527 . . . . 0.0 111.364 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 44.6 ttp -76.37 -46.49 27.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.936 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.34 -8.05 55.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.365 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.6 m -102.39 -5.59 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.096 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -98.24 88.53 4.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.573 0.702 . . . . 0.0 110.167 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 127' ' ' SER . 23.6 t70 -158.01 102.27 1.8 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.397 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 126' ' ' ASP . 54.1 m 69.83 5.57 5.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.178 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.87 92.74 7.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -158.39 -38.63 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.029 0.442 . . . . 0.0 111.358 -173.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -86.3 155.87 20.48 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.184 0.516 . . . . 0.0 111.329 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.15 112.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.636 172.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.5 m -68.62 -62.44 1.39 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.036 174.16 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t 58.72 49.69 9.8 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.475 0.655 . . . . 0.0 109.647 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.86 51.57 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.229 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -138.37 138.59 38.42 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 p -77.12 69.26 3.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.54 . . . . 0.0 111.513 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.581 ' HA ' HE21 ' A' ' 6' ' ' GLN . 0.1 OUTLIER -125.96 77.98 70.41 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.61 173.51 12.43 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.997 2.465 . . . . 0.0 113.483 -173.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 8' ' ' ILE . 5.9 tp -64.36 -13.06 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.921 -177.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -78.15 4.88 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -84.09 -2.79 57.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.72 0.295 . . . . 0.0 111.722 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -149.42 113.65 3.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.247 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 77.7 Cg_exo -51.08 -43.64 47.0 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.31 2.673 . . . . 0.0 112.988 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.58 -40.6 97.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.604 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.36 -44.97 64.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.847 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.9 79.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.464 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.269 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.2 m -59.57 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.265 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -30.22 67.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.329 -177.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -65.24 -45.69 83.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.573 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.76 -37.47 82.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 95.2 m-20 -66.0 -33.1 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.089 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.88 -44.39 96.22 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -51.77 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.792 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 4.6 pp0? -63.93 -32.06 73.46 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.869 0.366 . . . . 0.0 110.687 -175.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.39 -51.07 56.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.728 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 68.6 m -67.95 -15.21 63.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.503 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -114.21 8.6 16.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.579 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -71.71 -46.84 57.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.139 0.495 . . . . 0.0 110.917 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.76 4.08 73.2 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.86 -42.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.307 0.575 . . . . 0.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 ' HG2' ' A' ' 36' ' ' GLN . 7.2 mp -86.17 157.79 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.997 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -80.81 164.63 22.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.715 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.1 68.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.677 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -79.57 -44.9 20.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.802 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.419 ' HG2' HD23 ' A' ' 32' ' ' LEU . 62.0 tt0 -64.61 -40.88 96.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.021 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.728 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 57.0 mtm -70.59 -39.84 73.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.854 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -71.64 -32.13 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.82 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.6 t70 -61.37 -32.52 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.6 mtp -64.95 -29.28 70.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.52 -41.93 93.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.079 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.498 ' HA ' ' OD2' ' A' ' 45' ' ' ASP . 20.7 ptp -80.7 -17.58 50.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.181 0.515 . . . . 0.0 110.148 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 73' ' ' GLU . 15.0 tmm? -66.52 -34.96 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.289 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.37 75.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.444 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.498 ' OD2' ' HA ' ' A' ' 42' ' ' MET . 20.5 m-20 -63.47 -22.22 66.76 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.994 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.658 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 43.3 t -79.34 -46.68 17.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.69 -52.43 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.482 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.408 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 17.6 p30 -69.01 -30.19 68.53 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -63.64 -46.46 85.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.957 0.408 . . . . 0.0 110.037 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 46' ' ' SER . 58.5 mt-30 -71.14 -36.84 72.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.467 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 56.2 ttp -62.18 -39.2 91.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.114 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.4 -28.36 56.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.647 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 59.6 pttt -81.92 -12.75 58.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.304 0.573 . . . . 0.0 109.772 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.696 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 60.8 ttp -79.03 -33.74 44.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.445 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.96 146.35 12.38 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.926 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.34 19.61 0.92 Allowed 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.875 2.383 . . . . 0.0 111.927 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -166.5 61.36 0.65 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HG2' HD11 ' A' ' 63' ' ' LEU . 97.7 Cg_endo -91.25 162.08 3.74 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.206 2.604 . . . . 0.0 114.434 -166.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 2.9 Cg_exo -75.19 153.04 40.59 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.115 2.543 . . . . 0.0 111.791 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -59.04 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -65.53 -23.17 66.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.635 0.255 . . . . 0.0 111.319 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.696 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 29.4 mmt180 -70.92 -44.23 66.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.95 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.2 mp -62.97 -36.78 84.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.185 -175.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.34 -18.38 64.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.59 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.74 -16.01 16.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.7 mmm -72.39 -27.49 62.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.351 0.596 . . . . 0.0 110.206 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -59.85 -51.36 70.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.407 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.7 m -63.64 -39.8 95.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.758 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.83 -46.63 87.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.9 ttm -64.14 -48.17 77.07 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.226 0.536 . . . . 0.0 109.857 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.43 -41.85 73.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.014 -176.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.22 75.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.238 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HB3' ' HG2' ' A' ' 43' ' ' MET . 7.7 mm-40 -73.65 -42.28 61.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.512 . . . . 0.0 109.934 178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.21 -28.95 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.56 -31.32 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.171 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -60.67 -53.96 51.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.275 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 80' ' ' THR . 34.5 m -67.7 -29.91 46.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.977 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.7 t -72.41 -43.47 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.803 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -21.99 66.55 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 77' ' ' VAL . 0.7 OUTLIER -79.36 -5.91 55.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 111.122 -177.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 15.1 m -90.93 128.94 45.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.896 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 81' ' ' SER . 24.0 Cg_exo -64.61 150.35 88.35 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.549 2.166 . . . . 0.0 111.285 173.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.03 -29.05 53.01 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.133 2.556 . . . . 0.0 112.711 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -61.04 -28.63 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.817 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 m -122.01 -1.56 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.924 0.392 . . . . 0.0 110.814 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -62.07 -46.01 91.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.356 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -29.71 69.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.525 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.55 -36.46 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.1 t -68.85 -35.67 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.895 177.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -58.2 7.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.55 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -66.74 -36.33 82.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.14 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.7 m -60.54 -51.16 70.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.0 mm -57.25 -49.54 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -44.88 96.97 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.012 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.76 -51.56 54.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.685 0.279 . . . . 0.0 111.066 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.07 -38.18 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.866 -176.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tt -73.04 -39.38 66.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 110.402 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.449 ' HD2' ' OE2' ' A' ' 99' ' ' GLU . 8.1 ttm180 -64.57 -35.56 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 111.133 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 25.7 mm-40 -74.91 -58.09 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.056 0.455 . . . . 0.0 110.314 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.479 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 30.8 p -54.84 -35.15 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.472 -173.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 107' ' ' SER . 25.1 ttt -56.46 -47.62 78.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.144 0.278 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.4 ptm -86.42 -13.82 45.16 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.629 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.479 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 0.3 OUTLIER -67.33 -26.49 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.707 173.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.561 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -70.53 -70.23 0.31 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.3 t 164.11 -19.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.538 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.26 16.11 50.31 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.443 -176.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 101' ' ' MET . 55.8 m 62.28 179.89 0.13 Allowed 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.013 0.435 . . . . 0.0 110.969 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.483 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 2.8 p -116.67 102.32 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.687 0.756 . . . . 0.0 109.716 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.92 145.05 47.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.221 -174.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -75.62 -23.82 56.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.688 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.31 8.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.305 -0.158 . . . . 0.0 110.794 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.1 -57.13 12.23 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.576 0.547 . . . . 0.0 111.091 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.6 p -58.49 -41.81 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.222 0.534 . . . . 0.0 110.856 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -65.0 -47.03 78.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.99 -50.51 71.79 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 122.795 0.438 . . . . 0.0 110.84 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 120' ' ' VAL . 95.3 t -59.77 -43.6 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.83 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -50.51 69.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.412 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -67.77 -42.05 82.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.51 -50.35 74.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.712 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 116' ' ' VAL . 93.1 t -56.42 -42.27 74.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.756 0.313 . . . . 0.0 110.861 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.485 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . 0.2 OUTLIER -67.73 -50.65 56.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.569 178.7 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.4 tmm? -63.48 -24.69 67.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.768 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.2 mt -93.18 5.38 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -131.79 -59.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.972 0.415 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -157.18 110.3 2.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.738 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -77.46 -20.49 54.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.271 0.558 . . . . 0.0 111.97 -171.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.4 m -116.92 8.76 13.59 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.769 -175.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.65 97.62 11.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.473 0.654 . . . . 0.0 110.969 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.35 -36.94 0.13 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.495 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 68.64 100.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.092 -177.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 11.8 p -163.56 137.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.251 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.2 m -81.6 65.85 6.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.339 0.59 . . . . 0.0 111.342 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.513 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -71.28 113.09 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.668 0.27 . . . . 0.0 110.289 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.596 ' HA2' ' OD1' ' A' ' 109' ' ' ASP . . . 168.31 96.07 0.1 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.382 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -103.83 -174.19 2.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 p -95.94 1.85 53.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.83 0.347 . . . . 0.0 111.503 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -124.27 87.4 53.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.555 ' O ' HG22 ' A' ' 8' ' ' ILE . 64.3 Cg_endo -74.5 69.89 5.02 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.827 2.351 . . . . 0.0 113.917 -172.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.576 HD13 ' SD ' ' A' ' 18' ' ' MET . 12.3 tt 63.7 -17.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 125.622 1.569 . . . . 0.0 114.77 167.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.556 ' HB2' HD22 ' A' ' 63' ' ' LEU . 92.4 m95 -71.59 -4.23 25.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -84.22 -6.89 59.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.758 0.314 . . . . 0.0 110.92 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -130.42 99.8 18.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 109.987 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 67.2 Cg_exo -51.66 -43.46 50.68 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.468 2.779 . . . . 0.0 113.716 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.08 -44.6 87.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.858 0.361 . . . . 0.0 110.449 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.29 70.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.823 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -62.66 -43.04 99.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.041 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.659 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.3 mmt -68.62 -29.27 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.324 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -58.73 -43.9 90.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.576 ' SD ' HD13 ' A' ' 8' ' ' ILE . 25.8 mtm -60.57 -56.0 26.59 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.511 0.672 . . . . 0.0 110.04 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -60.2 -42.32 94.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.984 -171.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.75 -41.87 91.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 110.487 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 78.9 m-20 -66.9 -35.8 80.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.21 -49.66 76.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.912 0.387 . . . . 0.0 110.321 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.38 -46.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.832 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -69.5 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.61 -175.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.43 -49.67 68.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -66.78 -26.12 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.0 t -75.4 -17.83 60.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.59 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -116.56 18.51 15.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.388 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.0 p -77.13 -44.59 29.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.367 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 -1.16 76.37 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -173.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -101.58 -36.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.861 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 19.0 mt -85.66 179.36 7.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 37' ' ' MET . 10.0 t -119.13 166.52 12.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.888 0.375 . . . . 0.0 110.669 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.59 -43.23 99.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.431 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.36 -29.07 65.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.233 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' A' ' 33' ' ' THR . 57.1 mtt -68.19 -37.08 80.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.57 -38.83 77.55 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.65 -35.74 81.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.192 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.66 -37.12 86.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.8 83.42 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.593 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.64 -24.44 62.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.328 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -63.29 -40.99 98.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.72 91.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.024 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.95 -39.9 91.29 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -59.79 -40.37 88.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.038 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.47 -56.74 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.783 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.659 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 22.6 p30 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -173.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 t -65.48 -53.08 47.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -64.08 -36.4 83.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.887 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.551 ' SD ' ' HB3' ' A' ' 15' ' ' ALA . 46.0 ttp -64.56 -41.08 96.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.24 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -67.55 -20.33 65.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -99.29 3.83 46.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.256 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.433 ' HE1' ' HB3' ' A' ' 9' ' ' TRP . 11.1 ttp -77.47 -43.87 30.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.931 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.98 127.58 5.15 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.583 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.89 142.91 99.0 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 41.3 m-80 59.07 54.63 5.01 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 40.5 Cg_endo -95.84 174.36 0.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.997 2.464 . . . . 0.0 112.937 -173.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.86 155.61 53.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.443 2.095 . . . . 0.0 110.594 171.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -69.37 -14.33 62.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -172.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -68.9 -21.65 64.22 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.337 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -74.68 -50.73 16.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 110.056 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 9' ' ' TRP . 15.8 mt -63.68 -45.42 90.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.738 -176.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -60.24 -23.75 64.31 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.997 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.18 -0.82 57.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.455 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 97.2 mmm -103.07 -34.16 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.539 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -44.49 95.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.603 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.541 HG23 ' CD2' ' A' ' 119' ' ' LEU . 41.6 m -69.13 -29.21 67.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.45 . . . . 0.0 110.722 176.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.19 -50.69 72.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.203 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.5 ' O ' HG22 ' A' ' 74' ' ' VAL . 34.3 ttm -57.99 -47.36 83.24 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.033 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.67 -40.75 72.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.572 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.83 67.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 42.8 mm-40 -63.75 -44.38 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 70' ' ' MET . 28.7 m -76.96 -22.38 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.5 71.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.14 -41.47 92.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.579 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.51 -42.98 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.144 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.78 -36.77 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.888 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.51 -27.2 68.42 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.4 m -71.66 -19.25 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 111.351 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.9 m -71.57 130.33 87.48 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.513 -174.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.53 143.03 98.57 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.523 2.149 . . . . 0.0 111.094 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -31.97 76.26 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.908 2.405 . . . . 0.0 112.903 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -85.21 2.15 45.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.582 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.2 t -125.2 -10.07 7.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 109.938 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -54.78 -46.25 74.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.527 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 m -57.02 -39.15 74.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.281 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.89 64.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.043 0.449 . . . . 0.0 110.459 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 93' ' ' ILE . 77.3 t -68.57 -48.0 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.708 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -59.02 -43.52 91.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.552 -178.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -64.38 -32.83 74.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -66.11 -41.94 89.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.865 0.364 . . . . 0.0 110.2 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 89' ' ' VAL . 51.3 mm -58.8 -52.09 64.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.669 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.4 99.48 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.732 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.37 -52.73 63.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.649 0.261 . . . . 0.0 111.284 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 97.2 m -64.27 -42.94 96.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.89 -43.59 98.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.657 0.265 . . . . 0.0 110.435 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -56.35 -53.88 52.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.816 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 9.8 pt-20 -69.75 -42.8 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.181 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.6 m -58.37 -38.96 78.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.409 ' HA ' ' HG2' ' A' ' 18' ' ' MET . 21.7 ttt -64.62 -52.56 56.77 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 111.263 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 19.0 ptm -74.68 -24.42 58.78 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.136 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -61.05 -28.28 68.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.891 177.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -71.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.7 t 174.91 -31.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.953 0.406 . . . . 0.0 110.957 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.64 11.09 65.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.465 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 m 63.23 -175.43 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.026 0.441 . . . . 0.0 111.196 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.417 HG23 HG21 ' A' ' 113' ' ' THR . 2.0 p -106.74 107.65 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-O 121.736 0.779 . . . . 0.0 110.006 -176.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.596 ' OD1' ' HA2' ' A' ' 3' ' ' GLY . 22.0 t70 -71.77 150.23 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.709 -175.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -81.17 -26.48 35.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.231 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -92.32 -43.26 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.701 0.286 . . . . 0.0 110.554 -176.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.412 ' O ' HG23 ' A' ' 116' ' ' VAL . 34.3 t80 -53.92 -58.51 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.664 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.417 HG21 HG23 ' A' ' 108' ' ' VAL . 38.3 p -61.58 -40.97 96.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -65.72 -40.78 92.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.615 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.85 -50.16 69.94 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.0 t -54.09 -52.69 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.142 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 49.2 mmm -73.11 7.1 2.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -107.81 -54.19 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.541 ' CD2' HG23 ' A' ' 68' ' ' THR . 9.8 mp -70.45 -36.07 73.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.126 -177.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 116' ' ' VAL . 55.3 t -55.14 -36.82 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.194 0.521 . . . . 0.0 110.461 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -78.8 -49.31 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.397 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 59.8 ttp -66.56 -34.16 77.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.324 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.3 mt -83.44 4.72 26.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.122 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.3 p -130.37 -68.2 0.7 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.914 0.388 . . . . 0.0 110.169 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -174.58 110.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.865 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -94.06 5.99 49.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.768 0.794 . . . . 0.0 109.816 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.4 m -67.29 -17.78 64.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.451 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.96 25.13 9.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.26 0.552 . . . . 0.0 110.615 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.87 -21.17 57.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.855 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.64 93.56 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.436 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.437 HG22 ' H ' ' A' ' 133' ' ' THR . 12.5 p -83.19 131.91 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.546 0.689 . . . . 0.0 111.131 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.4 p -102.72 25.29 9.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.048 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.437 ' H ' HG22 ' A' ' 131' ' ' VAL . 15.2 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.203 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -114.72 -11.18 12.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.47 . . . . 0.0 110.592 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.34 -122.44 5.74 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.049 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -136.93 -58.96 0.71 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.575 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 17.7 t -156.25 31.46 0.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -101.04 97.96 7.88 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.893 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 5' ' ' SER . 5.9 Cg_exo -77.01 -69.48 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.842 2.361 . . . . 0.0 112.517 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 18' ' ' MET . 20.2 tt -128.84 -6.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.394 0.616 . . . . 0.0 110.579 -178.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -89.05 9.14 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.701 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -36.68 83.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.836 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.67 134.42 23.51 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.302 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.1 -38.99 93.2 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.423 2.748 . . . . 0.0 113.133 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.87 -43.49 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.256 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.25 59.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' MET . . . -57.27 -55.91 28.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.257 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.413 ' SD ' ' HE2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -62.05 -29.41 70.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.12 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.531 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 0.0 OUTLIER -70.6 -28.85 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.473 -175.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -71.41 -42.77 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.644 0.259 . . . . 0.0 110.727 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.16 -44.79 75.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.676 0.274 . . . . 0.0 110.89 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.71 -28.35 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.25 -48.69 74.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.044 0.45 . . . . 0.0 109.846 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.77 -47.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.035 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.51 -31.26 72.4 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.48 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -66.93 -47.73 70.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.213 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.58 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.512 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.2 t -66.86 -21.58 66.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -112.06 11.81 20.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -75.51 -45.79 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.23 4.47 86.39 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.52 -41.28 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.096 0.474 . . . . 0.0 110.551 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mp -83.02 157.94 22.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.415 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 p -77.02 168.3 20.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.92 -24.52 67.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 110.236 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.15 -50.28 10.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.611 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -52.41 -44.31 65.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.818 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.9 mtm -66.19 -35.31 80.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.195 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.49 -34.74 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.481 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.19 -39.53 82.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 0.0 110.091 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.1 mtp -70.09 -33.98 72.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.52 -48.86 84.1 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.258 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -72.03 -23.37 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 110.535 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.09 -42.76 96.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.772 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.59 82.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -63.21 -41.7 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.041 0.448 . . . . 0.0 110.273 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.5 t -62.08 -42.7 99.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.549 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.43 -38.94 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.671 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -49.94 -54.29 20.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.134 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -63.11 -41.19 99.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.687 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 49.9 mt-30 -72.97 -32.72 65.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.704 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.413 ' HE2' ' SD ' ' A' ' 16' ' ' MET . 15.9 tmm? -72.08 -41.77 66.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.874 0.369 . . . . 0.0 110.455 176.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.77 -31.7 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.518 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 62.7 pttt -72.02 -15.84 62.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.001 0.429 . . . . 0.0 110.395 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 35.9 ttp -82.25 -44.02 16.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.178 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 -177.03 53.5 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.512 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 152.55 51.61 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.351 2.701 . . . . 0.0 112.426 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 94.1 m-20 51.7 64.83 7.22 Favored Pre-proline 0 N--CA 1.466 0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.3 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' A' ' 54' ' ' MET . 4.5 Cg_exo -77.74 128.57 9.44 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.799 2.333 . . . . 0.0 112.614 -176.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.15 163.25 29.64 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.535 2.157 . . . . 0.0 111.447 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -55.65 -40.84 72.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -68.38 -11.8 60.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.532 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 23.0 mmt180 -83.12 -46.35 12.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.284 -0.26 . . . . 0.0 110.61 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.468 HD22 ' H ' ' A' ' 63' ' ' LEU . 2.2 mm? -64.64 -33.99 77.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.192 0.52 . . . . 0.0 109.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -66.13 -23.78 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.886 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.27 -34.24 20.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.845 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.29 -38.7 81.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.19 -40.17 92.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.479 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 m -76.89 -32.75 57.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.49 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.3 -46.03 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.5 ttm -69.41 -50.56 44.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.107 0.48 . . . . 0.0 110.359 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.67 -43.17 80.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.649 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.18 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 58.6 mm-40 -76.38 -43.39 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 77' ' ' VAL . 22.7 m -75.16 -17.62 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.759 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.88 55.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.273 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.8 -49.98 75.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 74' ' ' VAL . 11.2 m -69.16 -27.74 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 110.728 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 120' ' ' VAL . 61.1 t -73.59 -38.62 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.197 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.78 -28.45 69.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.675 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 m -72.67 -10.74 60.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.068 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.4 m -93.6 114.89 64.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 84' ' ' GLN . 72.1 Cg_endo -77.07 167.47 24.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.624 2.216 . . . . 0.0 112.129 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.731 ' O ' ' HA ' ' A' ' 130' ' ' GLU . 38.6 Cg_endo -68.3 29.86 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.278 2.652 . . . . 0.0 113.572 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' A' ' 82' ' ' PRO . 75.9 mt-30 -127.55 -2.9 6.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.12 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -152.94 14.95 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 111.059 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.41 -50.75 43.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.485 -176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.674 ' O ' ' HB2' ' A' ' 91' ' ' ASN . 38.8 m -76.57 8.3 3.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.25 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.98 -41.14 6.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 93' ' ' ILE . 94.5 t -76.97 -50.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.17 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -38.97 76.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.239 0.542 . . . . 0.0 109.778 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.674 ' HB2' ' O ' ' A' ' 87' ' ' SER . 8.9 t-20 -56.37 -49.01 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.23 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 m -64.33 -42.81 96.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.073 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.3 mm -58.2 -56.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.9 -35.77 92.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.717 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -70.57 -54.97 9.99 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 111.149 -177.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.53 -29.9 70.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.995 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -66.76 -54.45 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.954 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 3.2 ptp180 -61.47 -41.23 96.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.486 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 40.3 mm-40 -58.99 -56.07 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 111.075 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.531 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 23.4 m -56.87 -35.45 68.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.711 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.7 mmm -54.47 -54.3 42.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.54 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.1 ptm -78.28 -18.26 55.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.399 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -77.97 -18.7 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.57 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.02 -62.47 1.66 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 15.2 t 165.65 -20.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.67 0.606 . . . . 0.0 111.25 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.76 15.93 34.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.615 -0.803 . . . . 0.0 113.76 -173.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.2 p 52.25 -172.16 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.447 0.699 . . . . 0.0 111.768 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.37 91.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.954 0.407 . . . . 0.0 110.004 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.59 111.02 9.37 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.42 HD22 ' N ' ' A' ' 110' ' ' ASN . 0.9 OUTLIER -65.29 -38.1 89.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.253 -174.625 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.67 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.311 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 116' ' ' VAL . 88.6 t80 -60.54 -55.24 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 p -58.43 -42.87 88.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.525 0.203 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.65 -43.17 99.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.361 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.71 -42.17 86.8 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-O 120.699 0.285 . . . . 0.0 110.58 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 120' ' ' VAL . 98.6 t -58.83 -51.75 68.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.057 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.432 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.7 mmt -53.67 -47.11 70.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.796 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -54.29 -57.34 11.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.34 -49.88 72.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.051 -176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 116' ' ' VAL . 79.5 t -53.53 -48.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.688 0.28 . . . . 0.0 111.421 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -68.7 -43.77 75.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.82 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 47.7 ttp -66.68 -30.52 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.994 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.19 5.24 42.45 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 p -135.34 -69.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -166.76 113.39 0.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.717 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -113.67 17.7 18.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.437 0.637 . . . . 0.0 110.224 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.9 m -125.55 7.06 7.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.286 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.84 98.69 11.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.727 0.299 . . . . 0.0 110.951 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -118.06 142.45 47.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.731 ' HA ' ' O ' ' A' ' 83' ' ' PRO . 24.2 mp0 -58.55 120.88 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.362 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 48.3 t -71.86 110.8 5.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.5 t -74.13 78.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.401 0.619 . . . . 0.0 110.413 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.057 178.082 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -88.14 132.72 34.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.6 156.34 26.95 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.8 t30 70.19 -65.67 0.31 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.019 0.528 . . . . 0.0 111.34 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 p -107.06 155.86 19.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.305 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' OE1' HD11 ' A' ' 63' ' ' LEU . 19.0 mm-40 60.79 81.94 0.23 Allowed Pre-proline 0 C--O 1.235 0.312 0 O-C-N 123.571 0.544 . . . . 0.0 111.464 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 8' ' ' ILE . 11.2 Cg_endo -88.94 96.53 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.115 2.543 . . . . 0.0 113.34 -175.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 7' ' ' PRO . 12.5 tt 64.99 -32.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.907 1.683 . . . . 0.0 114.863 170.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -70.94 -5.37 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.289 0.495 . . . . 0.0 111.034 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -18.6 64.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 175.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -130.53 103.79 16.21 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.875 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.9 -35.71 71.83 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.842 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.84 -43.87 97.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.383 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.21 -43.28 74.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.142 0.496 . . . . 0.0 110.733 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB3' ' SD ' ' A' ' 51' ' ' MET . . . -63.52 -41.45 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.001 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -69.4 -37.37 77.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.173 177.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.9 m -59.29 -48.47 81.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.386 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -64.28 -36.59 84.58 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.091 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -79.74 -34.28 40.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.787 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.515 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 81.4 m-20 -68.37 -23.91 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.9 -37.71 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.73 -46.18 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.77 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -68.49 -35.36 77.42 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.881 -175.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.81 -45.89 70.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.352 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -69.44 -24.19 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.655 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 29.1 t -70.18 -19.68 63.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -113.42 21.95 14.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.265 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.2 p -82.69 -43.6 16.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.261 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.63 12.57 71.98 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.95 -43.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.569 -0.315 . . . . 0.0 111.241 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 49.8 mt -77.77 173.67 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.276 0.56 . . . . 0.0 111.675 -174.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -96.65 169.49 9.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.349 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 -28.72 68.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.503 . . . . 0.0 109.764 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.15 -52.39 23.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.945 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 40' ' ' MET . 77.2 mt-30 -57.45 -49.08 77.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.894 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.655 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 73.0 mtm -61.48 -37.26 82.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.64 -38.31 29.41 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.753 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.33 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.379 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.2 mtp -60.31 -36.24 77.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.145 0.497 . . . . 0.0 110.624 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.17 -24.08 76.83 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.721 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.7 mtm -85.07 -31.81 23.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.397 0.142 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 1.5 ptt? -70.22 -33.5 71.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.43 ' N ' ' HG2' ' A' ' 43' ' ' MET . . . -61.3 -28.84 69.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.224 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.21 -46.46 88.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.1 m -64.77 -28.07 69.32 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.937 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.39 -54.5 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 12.4 p30 -70.93 -28.25 64.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.178 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -59.82 -42.77 94.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.056 0.455 . . . . 0.0 109.932 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.94 -30.66 56.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.706 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.489 ' O ' ' HB3' ' A' ' 54' ' ' MET . 52.2 ttp -70.16 -34.45 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 49.1 mt-30 -66.61 -27.65 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 110.307 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -89.18 10.79 20.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.624 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.711 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 39.4 ttm -89.49 -44.94 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.914 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.39 166.92 20.29 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.171 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.6 20.05 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.174 2.583 . . . . 0.0 112.55 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -167.51 84.69 0.8 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.711 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 37.7 Cg_endo -66.66 123.73 11.45 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 123.15 2.567 . . . . 0.0 114.347 -170.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.37 157.33 33.02 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.908 2.405 . . . . 0.0 110.515 167.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -59.11 -32.5 69.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -70.25 -12.78 61.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.255 -178.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.12 -43.18 12.46 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.476 HD11 ' OE1' ' A' ' 6' ' ' GLN . 63.9 mt -61.52 -43.92 97.99 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -30.51 71.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.885 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.8 -43.87 12.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 95.8 mmm -63.98 -36.46 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -172.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -64.61 -34.93 79.42 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.492 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -84.07 -39.08 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.952 0.405 . . . . 0.0 110.353 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.38 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -72.33 -43.32 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.98 -32.64 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.45 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.61 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.523 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -76.06 -30.95 58.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.5 m -74.4 -23.39 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.41 -18.69 59.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.017 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -61.2 -49.29 77.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.14 -24.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.714 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 86' ' ' TYR . 23.3 t -78.57 -30.6 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.171 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.78 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 m -80.34 -0.7 37.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.346 0.594 . . . . 0.0 110.369 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -101.58 123.27 44.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.22 147.78 74.23 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.669 2.246 . . . . 0.0 111.838 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.03 -39.19 25.19 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.574 2.849 . . . . 0.0 114.117 -175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.51 -24.65 60.18 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m -102.63 -8.79 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.382 0.611 . . . . 0.0 109.988 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.525 ' CE2' HG12 ' A' ' 78' ' ' VAL . 41.4 t80 -60.1 -43.79 95.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.389 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 m -56.09 -35.95 67.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.807 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.07 -36.49 64.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.168 0.509 . . . . 0.0 110.212 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.24 -45.31 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.589 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 90' ' ' LEU . 1.6 tm? -57.54 -50.12 74.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.734 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -60.49 -37.13 80.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -61.16 -49.98 75.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.48 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mm -59.07 -48.34 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.589 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.41 -47.76 89.53 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 113.005 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.29 69.68 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.944 0.402 . . . . 0.0 111.003 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.11 -38.06 89.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.641 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.98 -43.99 94.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.514 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -57.04 -56.27 23.9 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 102' ' ' MET . 9.8 pt-20 -63.77 -40.78 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.544 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.7 m -58.16 -31.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.98 -40.47 83.12 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.823 0.344 . . . . 0.0 110.794 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 14.7 ptm -83.08 -19.32 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.507 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -71.98 -21.25 61.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.087 0.47 . . . . 0.0 109.857 172.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.48 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -82.04 -69.18 0.64 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.327 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.1 t 173.37 -24.15 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.376 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.06 7.26 71.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.906 -172.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.6 t 63.22 -165.71 0.24 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.913 0.356 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.4 t -106.76 102.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.06 160.03 32.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.232 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -117.76 2.05 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -173.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -121.48 -49.89 2.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.672 0.273 . . . . 0.0 110.477 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 116' ' ' VAL . 66.3 t80 -60.57 -61.6 2.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.677 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -30.68 68.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.29 0.567 . . . . 0.0 110.913 -177.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.514 ' O ' ' HB2' ' A' ' 117' ' ' MET . 35.3 t30 -74.04 -46.22 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.24 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.52 -31.29 65.2 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 122.274 -0.266 . . . . 0.0 110.59 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 120' ' ' VAL . 53.7 t -59.49 -43.95 91.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 170.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.514 ' HB2' ' O ' ' A' ' 114' ' ' ASN . 2.9 mmt -54.11 -51.12 65.22 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 174.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.88 -42.06 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.698 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.99 -48.76 72.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.516 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 116' ' ' VAL . 95.4 t -56.49 -42.87 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.719 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.462 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 49.1 mttt -60.97 -46.43 90.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.194 178.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -82.19 -26.49 33.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.429 -173.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -93.03 15.26 15.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.726 0.298 . . . . 0.0 111.474 -176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 p -123.66 -64.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.373 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -171.75 118.51 0.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.39 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.12 67.67 5.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.701 0.762 . . . . 0.0 109.64 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 40.7 m -140.77 20.74 2.33 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.179 177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.31 8.35 36.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.015 -172.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -65.21 118.49 9.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.56 . . . . 0.0 109.926 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.18 137.75 47.13 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.258 -172.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.95 124.48 44.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.4 p -74.88 73.3 2.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.454 0.645 . . . . 0.0 111.805 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.314 174.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.546 -0.621 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m 59.58 70.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.217 0.532 . . . . 0.0 110.959 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -135.91 130.55 5.38 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.459 HD22 ' HB2' ' A' ' 6' ' ' GLN . 13.3 t30 -154.45 149.59 26.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.657 0.265 . . . . 0.0 110.56 -177.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -75.74 7.81 3.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.459 ' HB2' HD22 ' A' ' 4' ' ' ASN . 2.4 mp0 -103.7 107.59 56.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 122.29 -0.256 . . . . 0.0 110.68 177.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -69.9 -164.6 0.13 Allowed 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 123.101 2.534 . . . . 0.0 113.549 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' ILE . 5.1 tp -68.07 -18.06 23.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.183 -176.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -79.85 29.47 0.26 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 111.244 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 6' ' ' GLN . 0.6 OUTLIER -86.85 -42.29 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.09 0.471 . . . . 0.0 111.348 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -116.49 121.06 33.78 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.237 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.716 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 9.9 Cg_endo -53.87 -39.2 85.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.935 2.423 . . . . 0.0 112.524 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -65.8 -41.76 91.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.975 0.417 . . . . 0.0 110.602 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -44.94 66.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.009 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.24 91.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.663 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -61.99 -39.22 91.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.62 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.429 HG21 ' HA ' ' A' ' 104' ' ' ALA . 84.0 m -57.92 -51.04 71.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.336 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -27.69 66.52 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.235 -177.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -71.11 -48.21 53.56 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.962 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.84 -35.51 80.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.628 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.488 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m-80 -65.4 -27.12 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.013 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.32 -42.35 98.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.6 t -68.11 -47.28 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.488 ' HG3' ' HA ' ' A' ' 21' ' ' ASN . 5.3 pp0? -65.76 -35.03 79.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.733 0.301 . . . . 0.0 110.813 -176.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -69.57 -43.39 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -70.24 -27.87 64.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.609 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.687 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 32.7 t -68.99 -20.62 64.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -105.62 10.13 33.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.206 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -72.02 -47.05 54.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.066 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.31 11.52 82.04 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.4 t -111.28 -36.08 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 35.5 mt -79.82 173.53 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.335 0.588 . . . . 0.0 110.912 -176.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.4 p -98.06 168.68 10.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.992 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.9 -27.71 66.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.256 0.551 . . . . 0.0 109.939 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.56 -48.32 33.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.124 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.87 -44.04 97.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.749 -175.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.687 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 71.1 mtm -68.64 -28.11 66.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.922 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.62 -37.48 65.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.905 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.567 ' HB3' HG12 ' A' ' 77' ' ' VAL . 2.8 m-20 -61.43 -34.13 74.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.026 0.441 . . . . 0.0 110.482 176.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.422 ' O ' ' HG3' ' A' ' 43' ' ' MET . 82.5 mtp -65.12 -37.91 88.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.482 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.82 -42.6 96.96 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.479 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.2 ptp -75.82 -27.94 58.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.54 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.68 -28.68 51.17 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.635 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.64 74.71 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.336 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -59.71 -47.25 86.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.476 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -65.9 -28.69 69.13 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' MET . 71.7 t -62.07 -53.93 41.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.77 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.507 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 7.1 p30 -68.0 -32.9 73.61 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.286 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -59.23 -52.53 65.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.979 0.419 . . . . 0.0 110.095 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -70.1 -42.94 72.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.518 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.716 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.6 tmm? -68.58 -39.59 80.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.01 -175.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.106 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.64 -11.99 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.281 175.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.475 ' HB3' ' O ' ' A' ' 51' ' ' MET . 41.7 ttp -69.51 -37.02 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.623 174.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' ' 58' ' ' PRO . . . 87.08 163.69 39.19 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.923 174.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -76.49 149.94 31.37 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.502 2.135 . . . . 0.0 111.931 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.531 ' N ' ' HD3' ' A' ' 58' ' ' PRO . 45.6 m-80 61.36 53.21 2.67 Favored Pre-proline 0 N--CA 1.467 0.408 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.911 -177.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 57' ' ' ASN . 10.1 Cg_endo -89.8 157.97 5.08 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.97 2.447 . . . . 0.0 113.01 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 14.8 Cg_exo -67.23 139.06 48.98 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.7 2.266 . . . . 0.0 110.999 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.24 -24.23 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -71.02 -19.65 62.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.462 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -75.69 -50.49 15.25 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 58' ' ' PRO . 7.1 mp -58.55 -36.05 73.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.116 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -51.99 -51.55 56.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.658 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.48 -25.61 57.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.451 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -40.44 76.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -63.03 -50.52 70.32 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.6 m -60.45 -45.83 92.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.459 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.18 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.338 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.443 ' O ' HG23 ' A' ' 74' ' ' VAL . 15.0 tmm? -67.44 -46.87 71.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.972 0.415 . . . . 0.0 109.933 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.85 78.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.494 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.78 86.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.03 -29.06 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.972 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.653 ' O ' HG22 ' A' ' 77' ' ' VAL . 83.0 t -69.49 -40.47 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 171.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -58.44 -36.19 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 176.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -59.65 -41.19 89.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.339 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.4 m -71.83 -28.2 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.463 . . . . 0.0 109.878 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' VAL . 47.5 t -77.91 -26.9 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.983 0.421 . . . . 0.0 110.36 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -12.29 60.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.013 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 t -78.05 -7.71 57.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 110.199 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m -88.62 130.5 45.06 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.79 160.69 47.17 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.022 1.815 . . . . 0.0 110.523 170.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.61 -28.03 27.69 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.042 2.495 . . . . 0.0 113.463 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.85 -56.84 6.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.645 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.4 p -86.91 -7.05 58.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -52.09 -46.8 65.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.411 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -59.39 -38.86 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.327 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.42 -33.66 67.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.232 0.539 . . . . 0.0 110.443 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.63 -48.74 63.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.357 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 90' ' ' LEU . 0.8 OUTLIER -57.3 -49.7 75.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.226 -177.351 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -62.53 -31.66 72.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -68.79 -41.7 78.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 0.0 110.548 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.72 -49.58 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.09 -22.21 68.67 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.269 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.26 -52.52 7.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 110.708 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.52 -39.98 94.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.964 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 97' ' ' LEU . 2.5 tm? -65.44 -29.84 70.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.305 0.574 . . . . 0.0 109.917 -178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -71.57 -38.64 70.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.656 -178.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 9.8 pt-20 -82.36 -39.51 22.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.889 -174.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 34.3 p -61.87 -31.52 71.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.767 -176.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.422 ' HB3' ' O ' ' A' ' 107' ' ' SER . 61.5 mmm -56.45 -49.36 74.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 ptp -80.5 -28.23 37.52 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.056 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.13 -29.74 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.419 . . . . 0.0 110.618 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.47 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -69.12 -69.42 0.33 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.3 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 10.2 t 166.62 -25.38 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.258 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.2 1.75 59.04 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.392 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 101' ' ' MET . 36.2 m 63.49 172.78 0.16 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.08 0.467 . . . . 0.0 110.376 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 p -103.12 100.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.781 0.8 . . . . 0.0 110.681 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.36 150.33 31.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.452 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 110' ' ' ASN . 0.9 OUTLIER -82.49 -34.75 27.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.254 -176.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.88 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.703 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.34 -58.42 7.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 117' ' ' MET . 17.5 p -55.16 -48.58 73.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.292 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -56.85 -50.32 72.79 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.927 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.32 -43.78 89.91 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.521 0.2 . . . . 0.0 110.888 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 120' ' ' VAL . 70.5 t -59.38 -49.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 113' ' ' THR . 68.1 mmm -56.46 -47.76 78.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -54.81 -49.43 71.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.3 mt -65.23 -44.26 88.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.566 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 116' ' ' VAL . 69.8 t -57.07 -43.33 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.448 . . . . 0.0 110.82 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -71.41 -43.35 66.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.121 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 49.3 ttp -73.78 -28.48 61.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.686 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.29 11.93 30.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.693 0.282 . . . . 0.0 111.105 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 p -117.61 -63.36 1.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.06 103.01 4.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.217 0.532 . . . . 0.0 111.064 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -81.82 58.02 3.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.763 0.792 . . . . 0.0 110.218 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.4 m -159.77 -23.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.635 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.88 98.6 3.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.506 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 75.53 -2.16 2.86 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.662 171.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.52 ' O ' HG12 ' A' ' 131' ' ' VAL . 0.0 OUTLIER -63.32 139.71 58.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.039 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 130' ' ' GLU . 2.3 p 53.9 16.73 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.294 1.037 . . . . 0.0 112.453 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.1 m -96.15 94.79 7.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.037 0.446 . . . . 0.0 110.386 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.288 178.609 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -138.32 107.68 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.891 0.377 . . . . 0.0 110.173 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.72 63.0 4.52 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.36 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -98.5 126.89 44.22 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.617 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 15.1 p -96.54 6.18 49.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.873 0.368 . . . . 0.0 111.212 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -105.85 84.58 1.29 Allowed Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.292 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.639 ' O ' HG22 ' A' ' 8' ' ' ILE . 67.5 Cg_endo -93.12 70.41 0.47 Allowed 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.885 2.39 . . . . 0.0 112.813 -174.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 7' ' ' PRO . 9.8 tt 67.38 -20.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.041 1.337 . . . . 0.0 113.767 172.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -82.78 14.76 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -40.96 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.221 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -145.25 140.67 16.25 Favored Pre-proline 0 N--CA 1.447 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.4 Cg_exo -41.53 -50.97 4.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 124.199 3.266 . . . . 0.0 114.277 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.33 -36.49 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.557 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.13 -48.92 64.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.214 0.53 . . . . 0.0 111.235 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.31 -42.66 59.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.64 -175.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.681 0.277 . . . . 0.0 111.047 -178.382 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.3 m -59.57 -51.21 70.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.24 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.488 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.49 -26.98 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.26 -177.365 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -69.11 -44.95 71.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -68.49 -40.8 80.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 6.4 m-20 -63.74 -30.11 71.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.134 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.74 -48.96 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.489 . . . . 0.0 109.813 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.03 -47.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.245 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 10.1 pt20 -65.68 -35.51 80.97 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.794 0.331 . . . . 0.0 110.824 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.5 t -67.21 -45.83 75.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.095 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -22.09 62.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.786 -177.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.1 m -74.01 -29.62 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -103.08 15.43 29.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.389 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.0 p -71.19 -48.82 49.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.463 0.649 . . . . 0.0 110.614 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.59 -3.25 59.2 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG13 HD12 ' A' ' 32' ' ' LEU . 3.8 p -105.43 -30.64 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.989 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD12 HG13 ' A' ' 31' ' ' VAL . 8.2 mp -76.28 140.99 41.79 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.6 p -73.96 168.61 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.52 -25.68 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.596 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.22 -56.43 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.497 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 40' ' ' MET . 80.1 mt-30 -53.52 -43.02 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.481 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.3 ptp -64.82 -30.37 71.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.711 0.291 . . . . 0.0 111.062 -177.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.06 -37.91 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.078 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' A' ' 42' ' ' MET . 19.1 m-20 -65.17 -25.69 67.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 82.7 mmm -59.24 -30.1 68.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.76 -49.25 56.49 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.623 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.1 ptp -65.8 -28.52 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.928 0.394 . . . . 0.0 110.611 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.9 ttp -65.99 -46.27 78.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.983 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.97 78.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.73 -45.1 91.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.619 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -37.56 83.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.53 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 43' ' ' MET . 87.7 t -61.51 -51.2 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.336 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.624 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 25.0 p30 -69.38 -26.15 64.52 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.107 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 t -62.38 -53.26 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.723 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.4 tmm? -70.9 -44.59 65.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.847 -177.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -68.29 -37.15 80.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -81.45 3.4 24.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.689 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 43.0 ttm -68.58 -37.62 80.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 177.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 149.86 17.09 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.593 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.11 140.21 82.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.59 2.194 . . . . 0.0 111.546 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 62.37 78.93 0.28 Allowed Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 121.308 0.575 . . . . 0.0 109.891 -173.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.689 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.8 Cg_exo -65.76 121.67 9.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 123.411 2.741 . . . . 0.0 113.459 -174.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -82.96 149.87 13.88 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.51 2.14 . . . . 0.0 111.786 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.62 -26.67 68.74 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -64.58 -22.89 67.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.999 0.428 . . . . 0.0 110.449 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 66' ' ' MET . 25.8 mmt180 -82.37 -45.54 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.674 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 58' ' ' PRO . 7.9 mp -57.04 -47.4 81.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.19 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 64' ' ' ARG . 35.0 mtt180 -68.87 -4.66 17.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.976 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.22 -6.33 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.678 0.275 . . . . 0.0 110.934 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.5 mmm -88.38 -36.44 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.769 -175.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -44.98 84.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.877 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.6 m -77.32 -29.15 53.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.891 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.51 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.461 ' O ' HG23 ' A' ' 74' ' ' VAL . 36.4 ttm -58.96 -45.09 91.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.861 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.42 -46.09 62.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.968 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.433 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -73.49 -41.14 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.945 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 70' ' ' MET . 55.6 t -66.42 -31.6 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.098 0.475 . . . . 0.0 109.813 175.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.09 76.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.338 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -57.71 -55.42 35.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.443 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.0 -29.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.484 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 74' ' ' VAL . 59.7 t -80.69 -29.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.812 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.47 -23.16 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 m -88.41 11.99 15.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.12 0.486 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -89.67 134.31 32.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.104 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.55 152.76 53.04 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 122.523 2.149 . . . . 0.0 111.749 172.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.71 -51.14 10.25 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.275 2.65 . . . . 0.0 113.851 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -77.44 -4.22 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 111.535 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 89' ' ' VAL . 16.4 m -101.05 -32.22 10.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.821 0.343 . . . . 0.0 110.248 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CE2' HG12 ' A' ' 78' ' ' VAL . 58.1 t80 -52.1 -52.29 52.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.336 -174.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -62.44 -32.72 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.928 0.394 . . . . 0.0 111.731 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.31 -37.03 61.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.494 . . . . 0.0 109.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 93' ' ' ILE . 98.0 t -69.35 -36.75 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.812 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.451 ' HG ' ' CE ' ' A' ' 121' ' ' LYS . 3.4 tt -55.4 -53.08 60.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.441 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -66.77 -40.28 88.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.128 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.0 m -61.07 -51.63 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 89' ' ' VAL . 41.4 mm -57.98 -48.05 85.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.696 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.81 -42.68 98.18 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.709 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.58 69.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.13 -42.81 95.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.671 HD12 HG23 ' A' ' 113' ' ' THR . 1.4 tm? -63.04 -43.85 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -52.86 -57.17 11.12 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.348 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.51 -53.01 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.697 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 m -50.89 -40.29 56.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.125 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 81.3 mmm -59.63 -49.71 76.69 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.943 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -31.11 61.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.91 -23.21 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.835 177.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -70.67 -69.59 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.153 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.6 t 176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.06 31.38 4.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.203 -173.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p 51.66 -171.55 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.506 0.723 . . . . 0.0 111.627 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -107.98 102.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-O 121.788 0.804 . . . . 0.0 110.135 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.426 ' C ' HD22 ' A' ' 110' ' ' ASN . 20.3 t0 -62.73 161.06 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.239 -177.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.426 HD22 ' C ' ' A' ' 109' ' ' ASP . 0.9 OUTLIER -111.27 -4.02 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -178.375 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.93 -59.79 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.584 0.231 . . . . 0.0 111.18 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -56.1 -53.87 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.193 0.52 . . . . 0.0 110.039 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.671 HG23 HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -58.37 -24.18 59.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.607 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -85.74 -49.76 7.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.417 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.81 -42.62 85.58 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 116.925 -0.125 . . . . 0.0 111.195 -177.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.653 ' O ' HG23 ' A' ' 120' ' ' VAL . 8.6 p -60.57 -39.53 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 1.2 mmt -60.51 -49.86 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.54 -44.71 89.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.851 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.79 -44.68 96.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.6 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 116' ' ' VAL . 84.7 t -53.37 -51.94 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.547 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.451 ' CE ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.47 -49.86 73.4 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.557 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 48.4 ttp -66.77 -29.9 69.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.924 0.392 . . . . 0.0 111.779 -175.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.61 1.03 56.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.0 p -124.11 -31.4 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.923 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.93 87.5 2.89 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.704 0.764 . . . . 0.0 110.832 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -89.82 64.86 6.56 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.051 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.5 m 62.19 16.12 8.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.58 -176.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.36 92.12 2.77 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.194 0.521 . . . . 0.0 110.755 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -144.68 -58.03 0.36 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -75.32 127.06 32.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.72 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 45.8 t -74.41 90.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.22 0.533 . . . . 0.0 109.936 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.7 t -131.99 87.67 2.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.282 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.204 178.7 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -96.45 117.26 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -121.47 97.55 0.62 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.51 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.29 -24.77 64.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.357 0.599 . . . . 0.0 110.101 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 p -121.16 157.64 29.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.642 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 66.7 92.4 0.06 OUTLIER Pre-proline 0 CA--C 1.53 0.208 0 O-C-N 123.704 0.628 . . . . 0.0 110.306 -174.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.89 -169.13 0.73 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.964 2.443 . . . . 0.0 112.9 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.579 HD13 ' SD ' ' A' ' 18' ' ' MET . 15.9 tt -69.59 -4.36 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.263 -174.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.479 ' HB2' HD12 ' A' ' 63' ' ' LEU . 91.7 m95 -77.13 23.67 0.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.985 -0.447 . . . . 0.0 111.096 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.76 -43.07 60.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -175.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -132.14 130.14 21.94 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.559 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.749 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 90.9 Cg_exo -40.79 -53.03 3.01 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 124.54 3.494 . . . . 0.0 114.73 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -56.92 -38.56 73.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.342 . . . . 0.0 111.51 -175.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.58 65.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.09 0.471 . . . . 0.0 111.098 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.73 74.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.116 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.666 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.46 -38.41 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.28 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 m -59.11 -41.17 87.54 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.622 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.579 ' SD ' HD13 ' A' ' 8' ' ' ILE . 27.7 mtm -58.09 -48.48 80.04 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.589 0.709 . . . . 0.0 109.795 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -51.42 -56.7 11.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.881 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -72.88 -20.89 61.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -176.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 11.9 m-80 -70.35 -35.96 73.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.05 0.452 . . . . 0.0 110.248 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.95 -42.13 94.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.62 -46.58 92.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.097 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -68.86 -25.92 64.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.654 -177.157 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.22 -44.97 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.526 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -25.88 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 p -69.65 -41.08 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.561 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -105.26 18.64 21.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.998 0.428 . . . . 0.0 111.331 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -53.25 52.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.031 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.83 -4.77 32.32 Favored Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.583 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' CG1' HD12 ' A' ' 32' ' ' LEU . 5.5 p -101.9 -31.11 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.696 0.284 . . . . 0.0 111.19 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 HD12 ' CG1' ' A' ' 31' ' ' VAL . 6.6 mp -80.47 167.53 20.04 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -103.55 163.87 12.02 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.786 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 37' ' ' MET . . . -56.08 -36.19 67.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.105 0.479 . . . . 0.0 110.505 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -87.95 23.55 2.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.78 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG3' HG22 ' A' ' 77' ' ' VAL . 62.9 tt0 -134.91 -38.78 0.79 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.318 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 40' ' ' MET . 21.9 ptp -75.38 -25.25 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.196 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -72.34 -37.55 68.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 110.558 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.14 -25.56 66.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.563 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.452 ' HB2' ' O ' ' A' ' 37' ' ' MET . 71.5 mmm -59.66 -33.59 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.441 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -48.99 75.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptp -76.72 -18.25 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.797 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . 13.0 tmm? -62.99 -43.99 97.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.416 ' HA ' HD21 ' A' ' 48' ' ' ASN . 13.0 t70 -62.21 -42.68 99.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.546 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t -68.12 -29.45 68.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.572 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 43' ' ' MET . 58.4 t -65.01 -54.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.644 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.416 HD21 ' HA ' ' A' ' 45' ' ' ASP . 9.9 p30 -66.52 -25.35 66.64 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.982 -177.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.9 m -63.56 -55.69 21.85 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 120.827 0.346 . . . . 0.0 110.516 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -69.87 -33.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.435 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.749 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 3.0 tmm? -68.14 -53.42 25.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.893 -174.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -66.48 -32.84 74.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.734 0.302 . . . . 0.0 111.203 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -67.05 -8.33 29.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.52 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.8 mtm -69.92 -34.53 73.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.794 0.331 . . . . 0.0 110.36 173.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.19 167.94 13.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.419 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.2 -14.66 25.75 Favored 'Trans proline' 0 CA--C 1.515 -0.474 0 C-N-CA 122.982 2.455 . . . . 0.0 112.193 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.57 75.69 16.32 Favored Pre-proline 0 C--N 1.313 -1.008 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.159 -177.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HG2' HD11 ' A' ' 63' ' ' LEU . 73.8 Cg_endo -78.23 128.51 9.01 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.757 2.304 . . . . 0.0 112.826 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' HD22 ' A' ' 63' ' ' LEU . 60.0 Cg_endo -74.98 167.98 25.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.417 2.078 . . . . 0.0 111.651 175.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -56.41 -35.85 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -68.1 -12.25 60.53 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -92.84 -49.96 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.856 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -57.25 -46.86 82.62 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.325 -176.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 5.5 ptt180 -63.86 -34.74 78.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.065 -175.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.509 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -80.32 -26.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.989 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 tpt -68.13 -30.92 70.18 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -60.21 -47.17 87.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.0 m -59.14 -37.7 77.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.703 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.35 54.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.304 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.1 ttp -67.86 -40.02 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.072 0.463 . . . . 0.0 110.246 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.54 79.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.926 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 76' ' ' GLU . . . -70.09 -43.46 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.704 0.288 . . . . 0.0 110.596 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.5 -40.29 78.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.268 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 78' ' ' VAL . 28.5 m -82.87 -30.68 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.321 178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.07 76.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 16.3 mm-40 -59.32 -41.88 90.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.296 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 74' ' ' VAL . 6.3 p -81.77 -27.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.803 -177.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 74' ' ' VAL . 77.1 t -70.81 -32.43 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 176.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -10.74 39.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.816 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -75.26 -18.14 60.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.16 0.505 . . . . 0.0 110.589 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -76.04 123.81 88.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.84 150.8 81.37 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.61 2.207 . . . . 0.0 111.215 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.44 -35.66 36.81 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.188 2.592 . . . . 0.0 113.243 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.62 -26.67 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.911 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 m -116.67 -3.29 11.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.232 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -59.67 -50.66 72.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.464 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 m -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.908 0.385 . . . . 0.0 110.924 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.96 -37.98 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.57 . . . . 0.0 110.288 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 93' ' ' ILE . 78.2 t -72.25 -45.47 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.265 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -47.03 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.797 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.11 -36.29 74.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.7 m -67.82 -43.51 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.513 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.8 mm -59.2 -46.69 91.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.509 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -62.75 -39.18 97.64 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 113.013 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.52 -47.47 60.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.786 0.327 . . . . 0.0 111.011 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.7 m -63.55 -37.21 86.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -36.74 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.498 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 94' ' ' GLY . 10.2 mmt180 -59.48 -56.8 17.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.641 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.05 -37.37 81.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.806 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.2 m -54.42 -35.85 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.464 ' SD ' ' HD2' ' A' ' 112' ' ' PHE . 48.0 mtp -69.19 -49.13 59.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.765 0.317 . . . . 0.0 111.582 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.5 ptm -74.96 -26.28 59.48 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.537 -174.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.94 -20.06 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.405 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.55 -66.86 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.422 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t 177.19 -33.04 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.55 27.42 8.71 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.415 -0.898 . . . . 0.0 114.118 -169.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.8 p 48.86 -164.72 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.98 0.512 . . . . 0.0 111.987 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.02 92.52 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -73.9 155.33 38.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.809 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.574 ' H ' HD22 ' A' ' 110' ' ' ASN . 0.1 OUTLIER -92.08 -5.97 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.499 -174.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 115' ' ' GLU . . . -110.6 -53.71 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.265 -0.272 . . . . 0.0 111.539 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HD2' ' SD ' ' A' ' 101' ' ' MET . 84.2 t80 -56.21 -50.29 71.67 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.079 0.237 . . . . 0.0 111.273 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.448 HG23 ' SD ' ' A' ' 101' ' ' MET . 35.7 p -57.21 -42.5 81.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.289 0.566 . . . . 0.0 110.589 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.7 -49.23 77.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.378 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 111' ' ' ALA . 42.2 mm-40 -57.09 -51.32 69.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.52 -46.9 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.977 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.1 mmt -57.74 -48.33 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.211 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -61.17 -51.36 69.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 110.628 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.52 -47.86 68.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.551 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.39 -41.05 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.106 0.412 . . . . 0.0 111.094 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -69.48 -46.2 67.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -77.89 -28.43 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.209 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.22 -9.24 59.57 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.293 -0.255 . . . . 0.0 111.38 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -64.98 1.11 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.894 0.378 . . . . 0.0 110.156 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -164.59 116.22 1.25 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.122 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.84 19.69 4.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.166 0.984 . . . . 0.0 108.68 173.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 m -92.27 23.15 4.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.332 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.15 75.52 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.179 0.514 . . . . 0.0 111.495 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -122.28 131.02 53.71 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.634 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.2 pm0 -72.62 146.08 46.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.848 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.47 HG22 ' H ' ' A' ' 133' ' ' THR . 14.4 p -97.93 132.92 41.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.131 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.8 m -101.53 19.15 18.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.507 -174.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.47 ' H ' HG22 ' A' ' 131' ' ' VAL . 5.6 t . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.565 -0.731 . . . . 0.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.909 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m -69.5 -49.04 58.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.178 0.513 . . . . 0.0 110.374 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.3 94.11 1.69 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -94.56 155.41 16.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.709 0.29 . . . . 0.0 110.62 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.452 ' O ' HD11 ' A' ' 63' ' ' LEU . 32.1 t -82.01 3.52 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.096 0.474 . . . . 0.0 110.79 -177.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.437 HE21 ' HB3' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -159.88 93.27 1.7 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 178.163 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -69.67 -70.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.291 1.994 . . . . 0.0 112.328 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.545 HD13 ' SD ' ' A' ' 18' ' ' MET . 19.6 tt -120.03 -13.6 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.392 0.615 . . . . 0.0 110.162 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -82.82 49.6 1.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.561 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.5 p -87.36 -43.75 11.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.866 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -151.68 148.9 22.76 Favored Pre-proline 0 N--CA 1.446 -0.651 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.997 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.849 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 96.0 Cg_exo -41.63 -54.38 2.8 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 124.048 3.166 . . . . 0.0 114.061 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -59.45 -36.35 75.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.349 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -52.33 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 111.594 -176.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -78.72 -36.57 43.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.528 -173.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.498 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.6 OUTLIER -63.19 -30.56 71.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.739 179.668 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.564 HG21 ' HA ' ' A' ' 104' ' ' ALA . 54.5 m -57.44 -54.32 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.367 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.545 ' SD ' HD13 ' A' ' 8' ' ' ILE . 25.3 ptt? -65.09 -36.38 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.68 -177.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -63.9 -44.42 93.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.996 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -70.08 -40.93 74.7 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.167 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 84.0 m-20 -65.54 -30.12 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.128 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.88 -46.23 90.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.147 0.499 . . . . 0.0 109.914 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.5 t -64.1 -48.44 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.473 ' CG ' ' HA ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.85 -26.65 67.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.059 -175.145 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.57 -50.85 11.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.993 0.425 . . . . 0.0 110.314 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.48 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.175 -174.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -66.15 -27.53 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 111.304 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -109.09 22.22 16.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 -177.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 p -72.37 -37.15 68.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.12 3.57 75.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -173.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -103.36 -44.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.98 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD22 ' OE1' ' A' ' 36' ' ' GLN . 31.6 mt -77.69 -178.68 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.06 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' H ' ' A' ' 36' ' ' GLN . 9.1 t -117.1 166.81 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.023 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -30.59 65.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.486 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.35 -49.71 39.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.492 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 40' ' ' MET . 78.7 mt-30 -60.85 -45.39 94.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.693 -176.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 ptp -64.58 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.12 -38.4 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -66.36 -28.38 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.49 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 92.6 mtp -65.87 -27.83 68.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.428 . . . . 0.0 110.036 174.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.75 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.873 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ptp -76.53 -23.89 53.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.04 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.4 tmm? -63.92 -44.5 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 172.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.31 73.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.525 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.53 -32.51 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.257 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 t -69.55 -34.56 74.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 43' ' ' MET . 47.7 t -67.78 -57.3 9.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.25 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -66.99 -24.79 66.07 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.716 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -66.24 -47.98 72.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -80.39 -36.76 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.844 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.849 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 8.0 tmm? -61.52 -47.66 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.631 0.373 . . . . 0.0 111.876 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -68.17 -29.1 67.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -94.27 9.18 39.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.55 -178.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.0 ttm -78.35 -24.74 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.11 131.15 7.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.978 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.58 123.86 13.52 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.349 2.033 . . . . 0.0 110.695 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 63.08 71.74 0.63 Allowed Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -168.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.47 164.95 33.73 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 123.343 2.696 . . . . 0.0 113.869 -170.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.73 145.0 50.36 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.117 2.545 . . . . 0.0 112.132 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.09 -42.62 81.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.953 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -67.91 -18.14 64.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.337 . . . . 0.0 111.409 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -82.36 -23.01 35.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.596 0.236 . . . . 0.0 111.146 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.452 HD11 ' O ' ' A' ' 5' ' ' SER . 59.9 mt -66.69 -51.71 52.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.856 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.31 -25.39 34.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.971 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.19 -25.67 27.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.424 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.6 tpp -78.3 -44.72 24.59 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -173.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.434 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -59.98 -32.4 70.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.566 176.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.547 HG23 ' CD2' ' A' ' 119' ' ' LEU . 25.1 m -74.22 -44.65 52.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.132 0.492 . . . . 0.0 110.259 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.56 -48.32 80.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.107 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 74' ' ' VAL . 39.4 ttp -66.84 -38.56 86.62 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 116' ' ' VAL . . . -53.87 -46.97 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.969 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.5 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.299 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -69.51 -43.1 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.167 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 77' ' ' VAL . 39.9 t -70.72 -25.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.66 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -66.3 -29.48 69.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.173 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 74' ' ' VAL . 8.7 m -82.9 -30.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.069 0.461 . . . . 0.0 110.55 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.541 HG21 ' HZ2' ' A' ' 121' ' ' LYS . 48.2 t -76.1 -21.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.457 0.646 . . . . 0.0 109.994 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.43 -11.56 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.393 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -107.39 23.25 14.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.038 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.5 m -100.98 133.54 20.97 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -64.15 131.31 30.0 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.497 2.131 . . . . 0.0 111.599 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -46.09 -38.17 18.82 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.557 2.838 . . . . 0.0 113.916 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -67.77 -18.03 64.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.853 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 m -124.01 12.68 9.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.04 0.448 . . . . 0.0 110.904 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.02 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -61.83 -30.2 70.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.48 . . . . 0.0 111.495 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.08 -37.34 64.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.293 0.568 . . . . 0.0 109.924 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 93' ' ' ILE . 89.4 t -70.17 -36.13 66.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.928 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.572 HD22 ' HE2' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -53.18 -56.69 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.72 175.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -68.3 -40.33 81.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.104 -175.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 79.7 m -57.8 -40.45 79.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.221 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 89' ' ' VAL . 31.6 mm -63.25 -53.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.43 -23.31 75.13 Favored Glycine 0 CA--C 1.516 0.135 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.032 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.56 -52.66 10.11 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.889 -0.183 . . . . 0.0 111.364 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.98 -32.58 67.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.896 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.31 -40.65 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.469 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 98' ' ' ARG . 17.9 ptt-85 -68.01 -45.13 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.545 -175.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.32 -43.39 77.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.257 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 57.5 p -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.684 0.278 . . . . 0.0 111.059 -177.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 107' ' ' SER . 22.0 ttt -62.14 -43.84 97.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.241 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.32 46.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 120.869 0.366 . . . . 0.0 110.387 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.16 -4.78 23.09 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.466 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 17' ' ' THR . . . -76.05 -70.41 0.44 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.785 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.5 t 176.08 -40.59 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.561 ' O ' ' HB2' ' A' ' 107' ' ' SER . . . -67.9 -74.24 0.6 Allowed Glycine 0 C--N 1.333 0.417 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.288 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 9.0 t 162.85 179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.45 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 3.6 p -107.68 99.35 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.847 0.832 . . . . 0.0 109.697 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.1 140.35 47.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.878 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 114' ' ' ASN . 7.7 p30 -86.05 -9.01 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -172.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.21 -42.15 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.102 0.477 . . . . 0.0 109.856 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 74.0 t80 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.23 176.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 117' ' ' MET . 63.8 p -66.26 -15.72 63.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 110' ' ' ASN . 53.9 t-20 -75.76 -66.22 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.853 178.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.27 -50.87 70.12 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.953 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 120' ' ' VAL . 9.5 p -58.84 -38.82 75.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.848 -175.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.579 ' HB2' ' O ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -57.3 -53.92 52.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.566 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -68.59 -45.49 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.547 ' CD2' HG23 ' A' ' 68' ' ' THR . 9.8 mp -63.24 -34.56 77.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 116' ' ' VAL . 43.8 t -60.98 -22.4 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.201 0.524 . . . . 0.0 110.564 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.572 ' HE2' HD22 ' A' ' 90' ' ' LEU . 14.8 mmmt -95.37 -51.1 4.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.447 . . . . 0.0 110.096 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 55.9 ttp -60.65 -43.4 97.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.75 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.2 mt -79.31 0.86 27.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.134 0.492 . . . . 0.0 110.493 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -104.56 -64.45 1.11 Allowed 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -175.91 112.33 0.11 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.279 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -101.39 11.48 39.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.143 0.973 . . . . 0.0 109.034 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.7 m -88.97 14.62 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.288 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.96 84.03 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.305 -175.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -119.66 132.31 55.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.475 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.79 148.24 47.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.275 -178.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.0 p 44.9 41.0 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 O-C-N 124.391 1.057 . . . . 0.0 111.504 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.2 m -75.12 80.07 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.231 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.162 179.416 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m 72.39 -49.72 0.69 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.581 0.752 . . . . 0.0 112.562 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -156.97 138.93 6.14 Favored Glycine 0 CA--C 1.511 -0.177 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.385 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -157.2 156.64 32.94 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -75.06 -6.37 49.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.385 0.612 . . . . 0.0 110.946 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -124.65 81.74 60.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.113 173.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -74.36 -80.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.521 2.147 . . . . 0.0 113.253 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 tp -119.0 -33.85 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.715 0.293 . . . . 0.0 111.279 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.501 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 71.7 m95 -81.46 64.99 6.4 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -120.38 -35.3 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.522 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -137.62 124.71 13.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.06 -176.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.711 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 93.1 Cg_exo -44.12 -43.72 12.74 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.658 2.905 . . . . 0.0 113.726 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.436 HD22 ' HA ' ' A' ' 13' ' ' ASN . 2.0 t-20 -80.45 7.82 8.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.439 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.8 -40.46 3.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.474 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.43 66.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -59.89 -30.32 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 104' ' ' ALA . 37.4 m -56.72 -55.94 27.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.386 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -29.05 67.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.15 -176.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -66.03 -50.1 65.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 111.131 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -72.73 -32.9 66.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.562 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.7 m-20 -65.25 -32.77 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.411 . . . . 0.0 110.275 176.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -45.74 91.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.02 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.32 -47.33 93.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 8.2 pt20 -70.45 -31.36 68.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.866 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.36 -45.77 68.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.183 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -67.05 -24.77 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.805 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.634 ' HA ' ' SD ' ' A' ' 37' ' ' MET . 8.4 t -73.91 -10.76 59.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.48 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -115.13 20.18 15.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.1 p -81.51 -42.91 19.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 111.213 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.26 80.43 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.27 -45.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.101 -0.55 . . . . 0.0 110.186 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 26' ' ' ALA . 9.4 mp -73.38 139.48 45.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.474 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -82.75 169.53 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.87 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.607 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -30.22 66.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.938 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -90.17 0.42 57.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.406 -174.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.634 ' SD ' ' HA ' ' A' ' 27' ' ' SER . 74.2 mtm -108.78 -0.62 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.723 173.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.5 -43.16 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -68.4 -32.97 73.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.147 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.419 ' SD ' HG21 ' A' ' 77' ' ' VAL . 57.3 mmm -60.89 -36.68 79.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.438 . . . . 0.0 110.576 172.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.66 -50.01 56.59 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.08 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 ptp -71.04 -20.9 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.42 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.5 tmm? -67.6 -45.35 75.74 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.57 76.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.99 0.424 . . . . 0.0 110.562 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -17.78 64.91 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.607 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.3 t -92.66 -32.5 14.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.238 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 43' ' ' MET . 57.3 t -62.85 -49.35 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.039 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.434 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 13.9 p30 -68.43 -27.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.267 -0.173 . . . . 0.0 111.118 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.6 t -59.28 -42.17 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 110.091 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -81.28 -36.42 29.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.021 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.711 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 17.5 tmm? -70.12 -33.65 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.471 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.1 -25.0 61.57 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.547 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -81.57 -5.21 57.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.271 175.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.505 ' HB3' ' O ' ' A' ' 51' ' ' MET . 46.3 ttm -81.87 -57.12 3.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.872 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.45 164.32 30.67 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.821 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.28 134.3 12.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.744 2.296 . . . . 0.0 112.071 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 57.57 60.7 6.46 Favored Pre-proline 0 N--CA 1.469 0.495 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.078 -173.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -86.89 170.59 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.031 2.487 . . . . 0.0 113.236 -171.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.6 136.28 21.07 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.192 1.928 . . . . 0.0 111.449 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -64.54 -16.63 62.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -68.02 -21.47 65.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.21 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 66' ' ' MET . 23.8 mmt85 -78.53 -37.57 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.503 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 64' ' ' ARG . 5.4 mpt_? -57.63 -37.72 73.79 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.79 -32.92 62.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.731 0.301 . . . . 0.0 111.516 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.485 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 93.3 mmm -67.58 -30.66 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -175.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -58.61 -51.28 70.57 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 119' ' ' LEU . 83.0 m -67.22 -44.02 80.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.09 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.54 80.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.797 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.438 ' O ' HG23 ' A' ' 74' ' ' VAL . 41.0 ttp -68.0 -41.69 81.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.165 -176.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.76 71.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 76' ' ' GLU . . . -62.41 -45.23 94.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 177.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.16 -31.09 67.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 77' ' ' VAL . 84.3 t -68.46 -39.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 0.0 110.081 173.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -60.75 -30.4 69.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.999 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 10.4 mm-40 -59.76 -43.99 94.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.305 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 74' ' ' VAL . 5.1 m -75.84 -21.39 15.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.233 0.539 . . . . 0.0 110.477 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 74' ' ' VAL . 52.6 t -80.16 -33.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -18.93 65.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.2 m -75.79 -11.91 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.203 0.525 . . . . 0.0 110.675 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 m -86.16 131.57 46.1 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -63.21 147.79 93.65 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.543 2.162 . . . . 0.0 111.11 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.93 -34.11 36.08 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.216 2.61 . . . . 0.0 113.29 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.83 -39.64 91.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 111.615 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m -98.13 -5.03 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.11 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -54.85 -47.17 74.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.429 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -58.98 -35.75 73.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.479 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.52 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 0.0 110.324 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 93' ' ' ILE . 84.6 t -72.46 -45.58 59.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.327 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 90' ' ' LEU . 1.4 tm? -57.88 -48.29 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.12 -177.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.68 -36.35 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.033 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.3 m -65.07 -41.21 95.29 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.756 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.5 mm -55.76 -53.94 31.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.226 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.13 92.74 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.65 85.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 0.0 111.278 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 88.0 m -75.2 -30.23 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 1.7 tm? -64.3 -50.13 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.411 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -59.67 -45.68 91.33 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.727 -176.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -59.7 -57.99 10.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.053 0.454 . . . . 0.0 111.054 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 m -50.9 -42.79 59.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.897 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 45.1 mmm -54.73 -53.38 55.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.908 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.1 ptm -78.1 -31.13 49.9 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.492 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.4 -20.18 66.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.542 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -67.67 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 12.4 t 165.02 -26.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.34 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -91.97 23.36 26.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.492 -172.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.9 p 52.75 -175.54 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.265 0.626 . . . . 0.0 111.722 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.0 p -110.69 99.15 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 121.686 0.755 . . . . 0.0 110.31 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.86 148.99 43.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.606 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.63 -44.58 49.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.383 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.88 83.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.667 0.27 . . . . 0.0 111.019 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -59.66 -45.97 90.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.254 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.1 p -64.49 -37.51 87.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.65 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -70.55 -37.89 74.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.538 0.209 . . . . 0.0 110.773 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -55.91 -55.22 35.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.895 173.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.83 -49.34 81.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.287 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 6.4 mmt -74.46 -1.73 22.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -175.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -108.1 -50.58 3.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.452 HD13 ' CE ' ' A' ' 122' ' ' MET . 3.2 mm? -63.87 -41.21 97.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -177.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 54.0 t -63.43 -33.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -79.71 -46.68 16.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.053 0.454 . . . . 0.0 110.273 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.452 ' CE ' HD13 ' A' ' 119' ' ' LEU . 52.8 ttp -64.17 -36.1 82.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.382 -176.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.404 HD11 HD12 ' A' ' 119' ' ' LEU . 95.3 mt -89.92 10.11 25.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.665 0.269 . . . . 0.0 111.536 -176.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.8 p -124.67 -62.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . 177.1 100.07 0.02 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.66 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -85.57 63.23 7.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.1 0.952 . . . . 0.0 109.924 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.6 m -113.94 -0.02 14.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.077 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.03 82.53 8.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.222 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -104.74 131.74 51.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.715 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.514 ' H ' ' CD ' ' A' ' 130' ' ' GLU . 1.1 pm0 -78.26 71.38 4.73 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.686 0.755 . . . . 0.0 110.57 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.42 127.46 57.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.248 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.9 m -92.8 -15.29 26.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.695 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 51.5 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.624 179.727 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -156.16 146.73 21.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.667 0.27 . . . . 0.0 110.407 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -118.38 -85.47 1.03 Allowed Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -70.89 106.72 3.72 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.51 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 4.0 p -80.16 150.65 30.11 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -170.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -98.52 85.45 0.41 Allowed Pre-proline 0 N--CA 1.444 -0.749 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 166.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 5' ' ' SER . 27.0 Cg_endo -64.46 -80.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.204 2.603 . . . . 0.0 114.799 -164.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.662 HG12 ' SD ' ' A' ' 18' ' ' MET . 8.6 tp -146.68 -27.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -168.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.495 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . 94.8 m95 -76.99 30.1 0.13 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.124 -0.36 . . . . 0.0 110.928 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.427 ' H ' ' C ' ' A' ' 8' ' ' ILE . 1.6 m -79.81 -43.34 22.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.329 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -147.67 152.6 41.68 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.387 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.03 -52.8 5.93 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.923 3.082 . . . . 0.0 113.654 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.2 7.15 2.94 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.562 0.696 . . . . 0.0 111.288 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.77 -56.59 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.196 0.522 . . . . 0.0 110.006 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -66.62 -46.0 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.041 -175.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.644 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -65.41 -43.66 89.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.398 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -53.02 -48.98 67.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.033 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.662 ' SD ' HG12 ' A' ' 8' ' ' ILE . 13.7 ptt? -64.58 -34.49 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.374 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.477 ' N ' ' HG3' ' A' ' 18' ' ' MET . 43.6 m -62.35 -53.63 52.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.842 -176.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -74.83 -25.63 59.14 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.644 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 55.0 m-20 -66.62 -33.92 76.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.212 0.529 . . . . 0.0 110.094 173.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.2 -38.8 91.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.59 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 44' ' ' ALA . 87.8 t -67.43 -47.12 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.911 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -65.82 -34.03 77.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 -177.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -72.13 -41.92 66.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.358 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.15 69.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -68.31 -41.9 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.55 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -102.0 25.6 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.119 0.485 . . . . 0.0 110.21 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 p -74.07 -42.1 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.844 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.42 4.81 59.38 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -173.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.25 -61.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.519 -0.341 . . . . 0.0 110.418 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.11 148.66 47.24 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.5 p -87.75 168.88 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.707 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.19 -30.05 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.169 0.509 . . . . 0.0 110.458 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -53.89 12.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.669 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -64.79 -35.39 80.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.698 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 ptp -71.69 -19.64 62.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.217 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.82 -34.03 57.93 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.051 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -63.62 -34.69 78.38 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mmm -59.62 -40.59 88.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.483 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.56 -39.98 97.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.037 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.9 mtm -68.09 -37.05 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.016 0.436 . . . . 0.0 110.447 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.427 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.2 tmm? -61.5 -48.61 80.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.141 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' HA ' HD21 ' A' ' 48' ' ' ASN . 25.9 t70 -61.81 -40.61 95.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.702 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 23.3 t -67.94 -40.65 83.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.338 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 43' ' ' MET . 86.4 t -58.26 -47.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.376 -175.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.644 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 8.9 p30 -67.38 -31.78 72.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.384 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -67.67 -46.85 71.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 46' ' ' SER . 75.4 mt-30 -62.13 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.916 179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -62.36 -45.98 90.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.37 -29.04 63.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.228 -177.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -78.16 -21.05 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.444 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.711 ' SD ' ' HB3' ' A' ' 62' ' ' ARG . 53.4 ttp -70.37 -30.95 68.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 170.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 121.89 150.5 8.26 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.52 173.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.76 18.12 0.64 Allowed 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.026 2.484 . . . . 0.0 111.617 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -166.7 69.09 1.04 Allowed Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 114.64 -1.164 . . . . 0.0 107.868 -177.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.409 ' HB3' ' HG2' ' A' ' 54' ' ' MET . 16.7 Cg_exo -68.89 139.44 43.32 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.516 2.81 . . . . 0.0 113.805 -170.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -67.86 143.57 61.51 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.125 1.883 . . . . 0.0 110.906 171.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -53.48 -37.45 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -69.64 -20.23 63.6 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.545 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.711 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 15.1 mmt180 -74.57 -32.86 62.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.885 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.495 ' HG ' ' HB2' ' A' ' 9' ' ' TRP . 9.1 mp -63.01 -34.13 76.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 178.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.589 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.3 mpt_? -86.64 4.32 40.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.566 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.64 -15.26 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.595 173.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 86.6 mmm -89.59 -19.82 24.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.121 0.486 . . . . 0.0 110.703 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -55.24 -56.29 21.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -64.69 -37.2 86.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.27 8.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.218 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.452 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.0 tmm? -67.85 -45.87 73.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.214 -178.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.75 67.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.591 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.09 -48.53 73.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.315 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.03 -26.1 63.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.142 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 70' ' ' MET . 93.8 t -74.75 -44.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 109.925 172.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 120' ' ' VAL . . . -59.52 -30.56 68.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.439 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.04 -38.66 79.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.228 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.76 -33.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.375 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 74' ' ' VAL . 15.8 t -80.51 -16.72 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.143 -177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.35 29.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.968 0.414 . . . . 0.0 111.785 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 m -101.09 5.08 42.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.37 0.605 . . . . 0.0 110.382 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 m -100.75 117.45 62.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HG3' ' HA ' ' A' ' 131' ' ' VAL . 39.0 Cg_exo -61.35 146.6 97.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.848 2.365 . . . . 0.0 111.798 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -40.41 -44.87 4.34 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.127 3.218 . . . . 0.0 114.291 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -53.59 -51.1 64.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.275 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -89.08 -22.76 22.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.617 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' OH ' ' HA ' ' A' ' 121' ' ' LYS . 61.7 t80 -52.99 -45.15 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.219 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.24 -31.89 70.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.478 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.47 -37.15 57.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.12 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 93' ' ' ILE . 71.3 t -69.31 -45.85 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.036 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -48.34 81.99 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.894 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.25 -37.73 81.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.843 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.8 m -61.35 -47.84 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.486 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 89' ' ' VAL . 49.2 mm -57.32 -51.95 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.299 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.35 99.58 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.797 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.665 ' O ' ' HG2' ' A' ' 98' ' ' ARG . . . -67.68 -53.53 26.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.669 0.271 . . . . 0.0 110.981 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.57 -37.74 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.122 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.17 -46.27 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.949 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 29.2 ptt180 -62.44 -37.74 87.05 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.273 0.558 . . . . 0.0 110.542 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.5 mm-40 -68.59 -49.6 58.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.764 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 70.2 m -54.14 -41.64 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -175.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.51 ' SD ' ' HA ' ' A' ' 108' ' ' VAL . 1.7 ptp -67.75 -38.76 83.91 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.686 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 14.2 ptm -76.85 -26.08 53.87 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.175 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.13 -21.99 60.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.117 0.484 . . . . 0.0 110.48 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.582 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.88 -62.58 1.65 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.166 175.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 164.68 -18.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.929 -177.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.99 0.56 66.12 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.648 -173.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m 62.34 -164.12 0.25 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -176.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 19.1 t -108.3 101.72 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.24 125.24 34.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.761 177.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -82.5 -1.53 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.55 -49.95 4.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -48.67 80.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 p -58.4 -44.19 88.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.324 0.583 . . . . 0.0 110.608 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -66.5 -38.01 86.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.647 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.59 -52.32 46.7 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 123.019 0.528 . . . . 0.0 110.731 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.6 t -61.69 -41.94 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.933 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -51.65 66.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 122.597 0.359 . . . . 0.0 111.26 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -56.83 -49.08 76.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.479 -177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 116' ' ' VAL . 76.4 t -59.89 -46.34 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 110.576 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HA ' ' OH ' ' A' ' 86' ' ' TYR . 57.3 mtpt -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.416 0.627 . . . . 0.0 111.455 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.3 ttp -75.28 -39.21 59.91 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.264 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.5 mt -87.12 5.62 36.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.812 0.339 . . . . 0.0 111.249 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -110.7 -61.01 1.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.031 0.443 . . . . 0.0 110.891 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -83.21 93.23 7.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.886 0.851 . . . . 0.0 111.212 -174.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -138.12 90.5 2.48 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.139 -1.391 . . . . 0.0 108.839 174.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.1 t 70.71 6.62 5.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.725 -177.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.94 93.66 2.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.048 0.451 . . . . 0.0 110.372 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -125.16 -13.8 6.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.04 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -78.54 152.13 32.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.707 -171.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.454 ' HA ' ' HG3' ' A' ' 82' ' ' PRO . 3.1 t -83.65 32.26 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.453 -178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.8 t 63.47 23.36 13.64 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.084 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.717 -179.168 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m 63.33 24.09 14.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.958 0.409 . . . . 0.0 111.351 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.96 -39.48 2.49 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -79.87 162.11 25.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.986 0.422 . . . . 0.0 110.531 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.45 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 14.7 m -85.67 -2.32 58.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.877 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -109.54 93.47 14.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.762 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 5' ' ' SER . 35.3 Cg_endo -92.16 -73.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.914 2.409 . . . . 0.0 114.41 -172.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.489 HG12 ' SD ' ' A' ' 18' ' ' MET . 7.9 tp -130.59 -30.88 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -172.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -82.07 25.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.351 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 8' ' ' ILE . 15.9 m -61.77 -48.54 80.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.407 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -143.21 150.98 54.08 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.8 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 82.2 Cg_exo -44.26 -50.74 7.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.935 3.09 . . . . 0.0 114.097 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -56.98 -43.77 82.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.29 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.064 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 18' ' ' MET . . . -69.39 -44.89 70.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.391 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.525 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -65.21 -30.54 71.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.984 -177.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -51.35 70.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.185 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.9 ptt? -65.66 -35.68 81.48 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.843 -177.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.419 ' HB ' ' HE1' ' A' ' 16' ' ' MET . 2.6 m -63.12 -45.08 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -67.31 -45.68 75.76 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 3.7 m-20 -63.8 -29.36 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.222 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.17 -44.72 94.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 109.957 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -47.22 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.3 pp0? -66.67 -33.24 75.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.795 0.331 . . . . 0.0 110.603 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.19 -46.16 61.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.101 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -67.26 -22.24 65.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -70.7 -32.8 70.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.105 0.478 . . . . 0.0 110.385 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -97.95 12.74 33.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.378 -175.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -69.46 -42.69 74.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.981 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.67 3.6 88.1 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.06 -39.42 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.058 -0.571 . . . . 0.0 110.443 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 64.0 mt -83.73 168.25 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 -177.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.543 ' O ' ' HG3' ' A' ' 37' ' ' MET . 12.6 p -94.84 167.32 11.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.539 177.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.154 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.16 -40.33 62.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.205 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.51 -38.01 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.486 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.543 ' HG3' ' O ' ' A' ' 33' ' ' THR . 42.9 mtt -66.78 -37.18 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 110.089 175.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.64 -46.64 84.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.265 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.79 -38.79 86.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.8 mmm -59.24 -36.02 74.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.502 175.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -40.08 62.06 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.773 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.0 ptp -75.73 -30.14 59.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.809 0.305 . . . . 0.0 111.671 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.462 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -74.81 -25.33 58.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.16 -176.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.85 70.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.59 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.37 -25.97 63.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.5 t -78.24 -33.92 49.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 43' ' ' MET . 54.6 t -64.22 -57.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.018 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 14.8 p30 -67.69 -27.56 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 33.1 t -62.52 -55.27 28.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.23 -29.44 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.307 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.8 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 11.9 tmm? -68.17 -33.39 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.57 -21.65 57.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.5 mmtt -80.26 -15.44 56.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.388 0.614 . . . . 0.0 109.583 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.498 ' SD ' ' HG3' ' A' ' 58' ' ' PRO . 35.6 ttm -70.73 -56.3 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.18 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.09 143.75 15.52 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.233 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.9 141.52 94.9 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.767 2.311 . . . . 0.0 112.122 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 55.29 67.19 3.26 Favored Pre-proline 0 N--CA 1.468 0.434 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.577 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.498 ' HG3' ' SD ' ' A' ' 54' ' ' MET . 42.4 Cg_endo -96.5 172.85 0.9 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.209 2.606 . . . . 0.0 113.632 -173.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.8 150.77 31.01 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.841 2.361 . . . . 0.0 111.252 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.446 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 13.4 pt20 -66.39 -20.44 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.18 -23.94 67.24 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.792 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 66' ' ' MET . 24.2 mmt180 -73.45 -40.86 63.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.218 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.09 -41.73 99.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.085 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.474 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 12.1 mpt_? -74.55 0.26 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.503 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -111.6 -18.84 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.716 176.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.2 mmm -87.15 -27.67 22.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.362 -175.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 10.8 p30 -51.53 -46.14 63.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.356 172.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.438 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 19.7 m -76.24 -35.91 58.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.573 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.51 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.347 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.5 ttp -87.36 -43.31 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.258 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.16 -47.37 62.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.097 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.9 81.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.734 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.9 mm-40 -72.59 -44.3 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.933 0.396 . . . . 0.0 110.511 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.487 ' O ' HG22 ' A' ' 77' ' ' VAL . 58.1 t -65.5 -31.72 55.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.0 -28.68 64.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.523 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.95 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.348 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 74' ' ' VAL . 23.4 m -70.79 -31.71 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.348 . . . . 0.0 110.552 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.8 t -72.92 -39.83 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.156 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.4 -22.38 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.957 0.408 . . . . 0.0 111.405 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 m -91.34 3.27 55.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.418 0.628 . . . . 0.0 110.358 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -94.29 120.69 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.46 151.42 70.8 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.744 2.296 . . . . 0.0 112.529 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.69 86.44 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.114 2.543 . . . . 0.0 112.83 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -164.04 -38.18 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.055 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 89' ' ' VAL . 31.3 t -134.1 25.24 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.027 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' HB3' ' OE1' ' A' ' 130' ' ' GLU . 36.6 t80 -68.2 -49.4 61.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.307 -174.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -62.38 -29.17 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.84 78.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 0.0 110.223 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 85' ' ' SER . 73.6 t -60.05 -48.73 86.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.414 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.7 mt -62.62 -41.34 98.96 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.714 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -65.82 -34.47 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.531 0.205 . . . . 0.0 111.042 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.8 m -61.08 -52.83 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.364 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.4 mm -58.99 -46.79 91.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.588 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 98' ' ' ARG . . . -62.49 -29.96 75.01 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.539 -176.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.98 -49.21 7.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.641 0.257 . . . . 0.0 111.006 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 90.3 m -58.95 -36.76 75.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.587 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.75 -38.04 86.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 110.159 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 63.4 mtt180 -66.35 -52.9 42.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 100' ' ' SER . 5.4 pt-20 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.888 0.375 . . . . 0.0 110.803 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.0 m -57.46 -36.09 70.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.53 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 83.0 mtp -67.77 -45.08 75.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ptm -79.95 -11.89 59.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.388 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -18.98 40.27 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 171.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.48 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -84.08 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.816 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 14.4 t 171.87 -19.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.624 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -88.91 6.06 84.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.646 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.2 m 57.62 -168.36 0.12 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.907 0.353 . . . . 0.0 110.851 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.24 92.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.61 152.71 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.643 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -87.72 -16.81 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.7 -51.37 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.458 -175.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.91 -38.59 91.6 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.0 p -70.21 -8.58 51.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.433 0.635 . . . . 0.0 110.952 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.85 -43.38 4.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.903 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.51 -53.81 53.04 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.706 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 120' ' ' VAL . 8.6 p -63.41 -36.87 77.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.412 ' SD ' ' HA2' ' A' ' 94' ' ' GLY . 71.9 mmm -65.33 -48.44 73.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.1 -43.04 66.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.282 0.563 . . . . 0.0 110.183 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.488 ' HA ' ' HE3' ' A' ' 122' ' ' MET . 8.7 mt -69.91 -47.21 63.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 116' ' ' VAL . 59.8 t -54.53 -56.53 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.722 0.296 . . . . 0.0 110.459 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -53.65 -43.05 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.365 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.488 ' HE3' ' HA ' ' A' ' 119' ' ' LEU . 7.7 tmm? -81.75 -29.78 32.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.335 -174.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.65 -6.56 59.13 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.33 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -92.18 -48.49 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.509 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -155.31 145.77 22.04 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -77.28 70.97 3.73 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.794 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.9 t 67.66 25.98 8.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.662 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.53 40.83 0.68 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.609 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -91.73 135.4 33.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.344 0.592 . . . . 0.0 110.75 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.431 ' OE1' ' HB3' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -91.09 80.84 5.63 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.521 177.103 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.04 145.01 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.122 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 22.2 m 63.55 33.12 13.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.323 0.582 . . . . 0.0 110.277 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.341 -0.838 . . . . 0.0 110.71 -179.003 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -87.35 -39.41 15.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.771 0.319 . . . . 0.0 110.594 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.69 37.84 0.72 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.974 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -76.07 164.93 25.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 110.236 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -79.15 83.65 5.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.091 0.472 . . . . 0.0 111.708 -175.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.455 ' HA ' HE21 ' A' ' 6' ' ' GLN . 0.1 OUTLIER -152.55 86.38 4.32 Favored Pre-proline 0 N--CA 1.445 -0.701 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 174.287 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -87.56 -171.29 0.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.776 2.318 . . . . 0.0 113.037 -176.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.466 HD13 ' SD ' ' A' ' 18' ' ' MET . 17.7 tt -75.25 -14.04 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.251 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -72.59 -8.97 57.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.107 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.6 m -74.01 -14.36 61.01 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.999 0.428 . . . . 0.0 111.318 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -132.21 112.59 14.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.623 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 58.6 Cg_exo -51.41 -41.62 58.77 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.379 2.719 . . . . 0.0 112.983 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -83.74 18.01 2.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.782 0.801 . . . . 0.0 110.658 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.0 -47.59 1.78 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.697 171.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.233 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.664 ' SD ' ' HB3' ' A' ' 48' ' ' ASN . 2.4 mmt -70.69 -29.53 65.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.749 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.1 m -61.32 -49.71 75.87 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.714 0.292 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.466 ' SD ' HD13 ' A' ' 8' ' ' ILE . 24.0 ptt? -64.83 -37.3 87.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.627 HG21 HG21 ' A' ' 47' ' ' VAL . 56.3 m -65.69 -49.44 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.497 -176.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -66.94 -36.9 83.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.578 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 91.9 m-20 -70.02 -31.44 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 110.814 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.11 -40.9 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 109.878 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.19 -43.44 84.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.083 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 5.2 pp0? -69.35 -37.76 77.81 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.685 -177.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 96' ' ' CYS . 41.6 t -67.35 -46.06 74.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -67.36 -28.09 67.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.187 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 t -68.48 -30.6 69.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.018 0.437 . . . . 0.0 110.694 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -108.29 19.19 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -176.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.12 -40.83 71.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.92 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 9.15 82.77 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.18 -44.16 6.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.432 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 42.3 mt -78.35 178.07 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.227 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 36' ' ' GLN . 13.4 t -112.72 168.52 9.61 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.9 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.17 72.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.4 -33.71 65.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' H ' HG23 ' A' ' 33' ' ' THR . 89.2 mt-30 -70.73 -23.56 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 33' ' ' THR . 54.6 mtt -71.15 -24.39 62.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.55 -38.14 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 42' ' ' MET . 38.7 m-20 -58.01 -47.93 81.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.49 0.662 . . . . 0.0 109.423 173.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -56.04 -40.28 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.395 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.17 -41.11 54.61 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 23.5 ptp -69.01 -34.07 74.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.811 0.306 . . . . 0.0 111.439 -175.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -31.17 51.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.842 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.522 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . . . -75.17 -4.18 37.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -87.93 -43.66 11.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.282 0.563 . . . . 0.0 109.827 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.1 t -72.15 -32.36 66.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.003 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.627 HG21 HG21 ' A' ' 19' ' ' THR . 11.2 m -59.19 -49.55 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.664 ' HB3' ' SD ' ' A' ' 16' ' ' MET . 9.7 p30 -69.91 -31.83 69.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.048 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -63.04 -41.63 99.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.076 0.465 . . . . 0.0 110.209 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 50.9 mt-30 -80.91 -37.55 29.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.283 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 12' ' ' PRO . 9.8 tmm? -66.1 -39.52 90.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.71 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -70.73 -28.78 64.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.285 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HE2' ' HA ' ' A' ' 50' ' ' GLN . 64.6 pttt -88.19 -0.71 57.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.706 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 36.8 ttm -70.13 -38.06 75.45 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 57' ' ' ASN . . . 104.31 153.74 22.91 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.499 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.36 26.29 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.772 2.314 . . . . 0.0 112.15 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -163.11 84.02 1.44 Allowed Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.805 -177.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' CB ' HD21 ' A' ' 63' ' ' LEU . 38.0 Cg_endo -66.15 124.12 12.16 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.922 2.415 . . . . 0.0 113.403 -171.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.77 47.79 2.64 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.936 2.424 . . . . 0.0 112.483 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 63.54 -74.21 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -57.32 -22.59 43.06 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -75.12 -19.93 59.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 112.1 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 58' ' ' PRO . 85.5 mt -77.25 -41.98 38.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -177.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 19.1 ptt-85 -70.36 -14.1 62.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.1 -51.89 5.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.7 mtp -70.84 -27.29 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 64' ' ' ARG . 11.5 p30 -63.42 -38.43 91.11 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.763 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 m -76.2 -29.13 57.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.512 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.93 -53.5 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.061 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -68.27 -43.98 76.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.059 0.456 . . . . 0.0 110.351 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.65 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.678 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.02 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.53 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mm-40 -76.09 -36.28 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.005 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 24.3 m -78.37 -17.29 13.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.66 -46.59 88.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.685 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.96 -27.33 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.905 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 86' ' ' TYR . 39.4 t -71.93 -40.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.021 178.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.25 70.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.5 m -66.8 -20.1 65.88 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.803 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 35.5 m -83.78 135.03 43.36 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.067 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 84' ' ' GLN . 17.1 Cg_exo -67.79 153.1 76.62 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.695 2.263 . . . . 0.0 112.272 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.512 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 17.1 Cg_exo -69.57 25.6 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.536 2.824 . . . . 0.0 113.136 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' A' ' 82' ' ' PRO . 77.9 mt-30 -121.21 -6.18 9.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.473 0.654 . . . . 0.0 109.497 175.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -138.36 15.35 2.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.125 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' CE2' HG12 ' A' ' 78' ' ' VAL . 56.8 t80 -75.44 -47.77 25.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.295 -169.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.6 m -65.41 -29.05 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.534 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.21 85.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 93' ' ' ILE . 73.9 t -67.59 -42.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.048 177.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD21 ' HD3' ' A' ' 121' ' ' LYS . 3.1 tt -57.96 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.417 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.95 -37.31 86.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.8 m -59.64 -55.52 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.804 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 89' ' ' VAL . 48.0 mm -56.23 -41.25 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -46.99 77.42 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.808 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.03 91.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.629 0.252 . . . . 0.0 110.964 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 25' ' ' CYS . 75.4 m -76.77 -0.33 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.99 -177.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.18 -33.84 9.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -63.94 -64.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.379 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -63.73 -35.73 81.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.755 -177.173 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.6 m -63.33 -35.44 80.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.713 176.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.8 ttt -63.82 -50.04 70.49 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.716 0.293 . . . . 0.0 111.017 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.0 ptp -71.34 -23.76 61.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.835 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 2.1 tp-100 -66.51 -26.01 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.227 0.536 . . . . 0.0 109.703 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.506 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . -78.04 -63.19 1.45 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.787 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 104' ' ' ALA . 9.0 t 169.84 -24.11 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.98 24.06 9.69 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.972 -171.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.8 p 47.91 -148.44 0.19 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.772 0.429 . . . . 0.0 110.708 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.87 101.13 11.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.33 144.77 35.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -81.96 -19.45 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.696 -172.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.68 -48.09 4.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.081 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 116' ' ' VAL . 76.3 t80 -60.27 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.59 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.3 p -60.75 -41.64 95.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.209 0.528 . . . . 0.0 110.583 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.43 -39.74 89.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.046 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.24 -47.81 80.88 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 123.201 0.6 . . . . 0.0 110.8 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 120' ' ' VAL . 99.1 t -57.6 -48.21 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.619 ' O ' ' HD2' ' A' ' 121' ' ' LYS . 19.7 mmt -56.2 -52.88 62.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.1 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -54.78 -51.46 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.587 0.555 . . . . 0.0 111.024 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.422 ' HA ' ' HE3' ' A' ' 122' ' ' MET . 14.1 mt -61.02 -49.28 78.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.774 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 116' ' ' VAL . 67.9 t -59.56 -47.76 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.174 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.619 ' HD2' ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -62.96 -48.05 80.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.3 178.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.422 ' HE3' ' HA ' ' A' ' 119' ' ' LEU . 9.8 tmm? -65.86 -29.16 69.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.804 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.08 9.57 30.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.9 p -131.3 -61.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -163.52 108.78 1.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.188 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -82.93 -5.2 58.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.655 0.74 . . . . 0.0 110.231 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.8 m -79.48 35.87 0.29 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.001 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.96 85.12 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.213 0.53 . . . . 0.0 111.357 -176.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -116.18 -58.01 2.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.37 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 83' ' ' PRO . 39.1 tt0 62.19 89.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.588 176.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 11.7 p -125.25 138.99 52.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.0 p -87.57 13.78 9.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.17 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 33.0 p . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.455 177.749 . . . . . . . . 0 0 . 1 stop_ save_