data_2rt6_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 2rt6 _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 ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -41.28 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.75 -37.11 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -46.73 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -62.69 -50.88 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -44.95 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -29.99 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.029 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.83 -48.85 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -70.02 -34.03 72.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -98.72 13.79 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.312 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . . . -60.34 -61.45 7.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.668 0.271 . . . . 0.0 111.147 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 73.8 Cg_endo -75.51 60.1 5.71 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.548 2.165 . . . . 0.0 112.485 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.6 m -119.31 -11.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.747 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.2 p -59.95 -21.85 61.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.432 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.4 -42.0 68.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.762 0.315 . . . . 0.0 111.329 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 26.26 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.158 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.91 122.6 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -149.4 126.03 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -100.73 136.24 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.5 p -59.9 176.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.11 1.84 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.575 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -97.31 21.34 10.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.41 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 10.6 p90 -63.04 145.0 56.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.046 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.01 130.05 53.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' NH2' ' CD1' ' A' ' 34' ' ' PHE . 10.9 mmp_? -65.81 -22.29 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -76.44 -44.37 36.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.187 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.8 mt -84.29 -31.07 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -115.06 152.19 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.11 170.91 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.5 m -64.0 -36.42 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.14 -20.91 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 87.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -110.67 -27.89 8.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -138.84 175.04 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.6 -54.95 40.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -57.14 -35.76 69.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.85 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.94 -48.57 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.744 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.02 -40.44 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.34 -49.03 75.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.759 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.31 -41.67 89.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.13 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.91 -38.2 95.75 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.317 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.6 -31.88 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.18 -54.14 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.88 -37.99 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.78 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.69 -54.85 41.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.4 81.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.16 -31.65 72.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -72.2 -44.25 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.93 -27.84 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.5 -28.21 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.7 m -56.1 -29.52 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.329 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.56 -29.18 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 14.09 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 54.52 48.32 20.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.908 0.385 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -97.24 37.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.7 mm? -52.4 -49.37 85.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.349 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 55.8 Cg_exo -51.61 -33.05 46.93 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.353 2.036 . . . . 0.0 112.283 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.02 -24.76 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.68 -29.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.069 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.96 -52.78 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -48.54 67.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -33.8 72.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.96 -44.54 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.81 -43.9 97.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.52 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.05 94.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.99 -37.42 85.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.44 -52.23 66.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.5 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.38 -41.34 69.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.24 96.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.3 mt -65.97 -44.22 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.048 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -50.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -61.42 -48.11 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -74.01 -51.13 16.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.7 -35.55 76.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.026 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.89 -52.22 38.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 m -63.1 -50.24 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -51.19 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.065 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -62.27 -26.12 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.41 -43.39 32.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.079 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -29.61 45.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.052 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.76 13.88 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.359 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.33 -54.79 45.9 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.212 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -84.8 44.66 1.51 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.792 2.328 . . . . 0.0 112.792 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.3 t -122.7 22.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.206 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.0 p -66.86 -32.39 73.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.059 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.31 -29.85 60.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.22 26.16 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.57 127.6 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.201 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -149.21 125.51 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -97.65 135.52 39.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 p -61.72 175.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.39 1.94 49.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.538 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -96.85 21.42 9.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.642 0.258 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -62.59 149.01 44.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 123.96 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -63.4 -27.53 69.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -34.92 30.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.048 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.45 -31.17 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.31 160.71 19.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.36 170.72 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -63.89 -23.37 67.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.51 21.44 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.212 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.29 89.47 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -109.97 -26.95 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.5 p -138.44 178.72 6.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.2 mt -58.24 -47.8 82.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.91 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.29 -53.75 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.4 -39.01 91.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.52 -45.58 92.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -42.92 99.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.95 -38.42 85.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.28 -38.29 95.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.284 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.6 -33.28 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.677 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.85 -54.18 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.667 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 pp -63.92 -35.55 81.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.782 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.49 -54.85 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.47 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.13 -39.88 86.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.692 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -36.39 76.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.689 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -76.99 -27.57 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.15 -37.73 69.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.39 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.0 m -56.22 -29.56 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.19 -30.59 70.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -101.03 21.36 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 58.74 55.31 4.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -109.82 37.38 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 80.5 mt -50.97 -54.36 38.2 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.67 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 19.8 Cg_endo -58.55 -26.23 77.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.278 1.986 . . . . 0.0 112.44 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -30.56 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.828 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.1 t -58.47 -31.66 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.65 93.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.31 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -33.59 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.27 77.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -62.26 -44.5 96.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -62.27 -36.87 83.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.49 -48.96 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.89 82.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.87 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.86 -45.78 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -46.77 88.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.77 -41.94 87.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.95 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.0 mt -65.42 -43.35 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.88 78.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -53.76 50.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.21 -42.83 99.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -67.35 -46.34 73.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.78 -44.89 93.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -67.6 -40.85 84.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.41 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -31.27 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.124 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.48 -42.75 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.314 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -40.81 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.59 13.7 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.552 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.431 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -67.36 -62.35 3.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.606 0.241 . . . . 0.0 110.972 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.431 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 83.9 Cg_endo -80.74 56.4 6.07 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.156 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -115.8 -3.93 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.716 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 p -58.34 -21.72 50.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.718 0.294 . . . . 0.0 111.188 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -71.69 -51.76 21.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.145 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -111.77 26.14 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.18 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 125.34 24.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.6 m -149.2 126.82 11.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.79 140.67 29.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -65.98 151.94 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.36 -10.73 60.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.549 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.3 21.48 6.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.209 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -56.93 144.15 34.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.38 127.86 54.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -68.79 -25.85 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -77.75 -29.2 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -93.84 -32.43 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.006 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 72.4 m-85 -119.68 160.58 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.87 167.93 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.3 t -64.74 -29.41 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -20.82 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.0 89.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.79 -33.88 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.9 p -137.66 172.99 12.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.6 -48.97 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.36 -40.01 85.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.77 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.992 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.14 -45.34 92.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 tp -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -39.39 84.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.07 -38.27 88.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.725 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.21 90.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.67 97.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.344 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.67 -31.6 66.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -66.04 -54.83 20.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.19 -37.71 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.55 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.97 -34.05 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.49 -38.31 77.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.771 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -42.29 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -76.97 -26.88 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.14 67.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.424 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.2 m -54.07 -28.96 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.334 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -27.05 61.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -95.83 21.25 8.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 58.88 43.78 17.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -100.9 37.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 39.1 mt -55.47 -57.49 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.392 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 27.9 Cg_endo -62.51 -22.4 73.97 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.309 2.006 . . . . 0.0 112.395 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -27.11 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.013 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.9 t -55.76 -26.67 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.406 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.63 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -41.96 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.52 -38.39 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.43 76.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.21 -40.78 86.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -68.13 -43.92 77.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.41 -52.58 64.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.84 -48.92 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.64 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.45 -52.64 64.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -44.81 92.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.22 -43.16 99.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.415 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -62.85 -45.66 91.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.0 mt -62.65 -44.86 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -46.43 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.84 -54.9 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -66.67 -43.85 83.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -28.98 67.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.01 57.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -68.21 -44.98 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.038 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -54.18 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.219 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -63.93 -30.33 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.084 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -66.93 -42.51 85.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -38.63 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.26 13.75 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.284 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -57.83 21.43 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.684 0.278 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.43 52.05 4.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.723 2.282 . . . . 0.0 112.666 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.8 t -122.6 16.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.373 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -29.24 68.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -65.47 -41.07 93.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.93 26.26 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.1 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.3 141.64 24.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 m -61.69 176.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.24 1.97 38.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.642 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -89.52 9.41 26.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.623 0.249 . . . . 0.0 111.376 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -65.27 143.2 57.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.64 118.89 32.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -59.13 -19.65 46.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.383 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -74.14 -43.39 57.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.39 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD13 ' CG ' ' A' ' 39' ' ' PHE . 4.3 pp -94.79 -17.91 21.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.535 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.426 ' CG ' HD13 ' A' ' 38' ' ' LEU . 3.2 m-85 -112.86 159.32 19.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.974 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.64 168.1 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.5 m -70.65 -31.82 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.62 -10.75 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.357 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.18 90.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -113.05 -33.18 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 p -136.3 170.2 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -57.79 -53.96 52.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -42.5 79.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.87 76.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -43.84 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.12 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.04 -37.75 83.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.708 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.44 -42.32 87.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -45.92 95.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.275 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.17 -37.68 83.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.61 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -65.56 -38.02 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.64 -47.29 84.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.722 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.46 79.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.01 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.6 tp -68.54 -47.62 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.721 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -42.26 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.78 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -76.96 -26.81 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.91 -28.57 37.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.369 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.3 m -57.35 -29.8 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.44 -30.7 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -96.93 21.1 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 54.59 45.94 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.91 0.386 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -97.27 37.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -58.54 -48.03 97.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.177 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 28.2 Cg_exo -61.73 -31.99 86.24 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.357 2.038 . . . . 0.0 112.178 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -26.05 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.9 t -53.22 -28.16 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.23 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.8 87.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -43.42 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.65 -33.75 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.87 -54.22 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.57 -34.7 74.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -73.12 -50.11 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.4 -44.11 92.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.95 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.32 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -44.35 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -52.86 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.19 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.96 -46.42 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.63 71.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.288 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.29 -36.42 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -59.09 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.602 -0.199 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -66.56 -37.87 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -48.29 78.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.011 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -63.26 -51.94 64.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -34.22 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -69.99 -37.27 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.049 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -37.38 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.042 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -28.81 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.03 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 m -108.54 13.75 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . . . -62.95 -62.24 6.02 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 85.0 Cg_endo -77.5 60.63 7.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.515 2.143 . . . . 0.0 112.346 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -118.47 -9.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.754 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.13 -21.25 45.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.657 0.265 . . . . 0.0 111.389 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -51.77 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.8 26.29 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.18 122.8 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -149.26 125.51 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mt -101.28 149.32 24.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -66.59 166.65 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -7.45 54.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 21.32 7.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -60.94 148.26 40.41 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -109.9 130.02 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -20.49 66.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.21 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -45.91 45.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.068 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.3 -30.54 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' A' ' 39' ' ' PHE . 4.1 m-85 -115.45 154.06 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.67 173.64 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -78.08 -23.23 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -94.12 19.19 9.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.52 99.43 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.6 p -121.52 0.75 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.423 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.0 p -148.94 169.3 20.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -32.67 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.01 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.35 -53.97 40.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.71 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -64.26 -42.74 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.694 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.41 -43.33 96.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.79 96.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.767 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.29 97.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.225 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.658 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.01 -44.93 94.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.667 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.15 87.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.06 -59.21 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -61.09 -29.03 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -76.93 -31.13 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -53.87 -26.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.02 -24.2 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -106.92 21.38 17.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 63.02 55.97 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.926 0.393 . . . . 0.0 111.157 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.83 37.32 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 6.5 mt -52.86 -57.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.478 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.7 Cg_endo -53.22 -25.78 31.4 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.372 2.048 . . . . 0.0 112.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -78.27 -29.94 48.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.1 -28.38 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.3 82.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -48.29 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.55 -33.81 75.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.32 -54.19 37.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -37.57 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -67.54 -43.13 81.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.87 -46.94 85.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.22 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.0 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -55.03 23.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -44.12 90.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.68 -30.39 71.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -67.33 -43.41 81.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.9 mm -65.63 -46.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.11 82.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -70.83 -45.76 63.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.76 -48.34 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -42.64 86.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.4 -36.84 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 m -68.52 -33.67 74.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -73.86 -33.39 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.48 -32.66 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.023 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.08 -39.46 49.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -81.34 -40.91 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.95 13.82 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.4 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . . . -53.53 -61.83 4.53 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.648 0.261 . . . . 0.0 111.226 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 72.4 Cg_endo -76.31 60.42 6.36 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.544 2.163 . . . . 0.0 112.214 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.0 -18.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.501 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.8 p -47.55 -28.27 2.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.747 0.308 . . . . 0.0 111.465 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.11 -51.74 68.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -119.8 26.21 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 122.77 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.25 128.72 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 mt -97.96 149.34 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -56.67 156.96 5.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.1 -1.42 52.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.571 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -96.25 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -65.26 146.45 54.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.75 121.42 38.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.659 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -63.57 -16.81 61.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.09 -31.12 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.387 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' ' 39' ' ' PHE . 4.6 pp -114.01 -17.71 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.606 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.435 ' CE2' ' CB ' ' A' ' 85' ' ' ALA . 1.1 m-85 -112.9 157.74 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.81 155.8 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -64.63 -34.84 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -20.94 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.224 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 86.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.6 p -112.13 -29.57 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.5 p -130.86 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -56.65 -41.69 77.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -70.92 -36.22 72.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.7 82.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.0 p -73.17 -37.39 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.59 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -44.59 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.679 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.72 -36.71 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.43 -45.63 90.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.52 -42.23 99.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.267 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.8 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.8 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.31 -55.32 14.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.35 -37.47 83.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.67 81.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.08 -42.48 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.749 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -44.56 95.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -76.89 -26.91 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.64 -31.69 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.9 m -56.19 -30.13 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.297 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -26.87 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -95.37 21.38 8.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 59.07 59.47 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -114.36 35.84 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 7.3 mp -55.79 -61.76 5.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.216 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 11.5 Cg_endo -55.12 -23.05 34.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.529 2.153 . . . . 0.0 112.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -26.22 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.23 -26.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.334 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -48.89 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.61 -32.04 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.03 -49.77 47.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.02 -32.39 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.696 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -75.24 -46.86 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.765 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.61 -48.1 82.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.95 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.414 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.69 -50.43 73.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.39 -42.71 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.435 ' CB ' ' CE2' ' A' ' 39' ' ' PHE . . . -63.7 -40.89 97.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 mt -70.77 -39.7 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.93 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.88 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.27 -47.6 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.768 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.028 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.36 -41.79 76.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.979 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.74 -50.28 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.23 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.288 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -61.63 -54.07 47.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -29.95 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -47.87 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.75 -38.95 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -35.9 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 t -106.93 13.84 27.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.395 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -54.63 51.67 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.669 0.271 . . . . 0.0 111.243 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.39 50.22 3.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.732 2.288 . . . . 0.0 112.838 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.56 -5.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.686 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -58.4 -26.33 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.798 0.333 . . . . 0.0 111.223 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.75 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -123.16 26.24 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.02 122.64 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -149.31 140.05 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -109.0 149.38 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.48 172.67 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.55 2.02 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.55 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.76 21.42 7.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -69.08 142.22 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.98 123.3 44.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -21.42 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -89.73 -26.31 20.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.288 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.2 -23.15 18.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.372 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' CE1' ' HB1' ' A' ' 85' ' ' ALA . 31.4 m-85 -112.94 157.61 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.048 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.421 ' HG2' ' CE1' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -81.53 174.77 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.796 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.7 p -72.72 -29.73 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.43 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.02 89.18 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -112.78 -28.17 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.8 p -130.66 173.35 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.94 -45.22 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -67.09 -33.1 74.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.762 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.43 -33.27 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -46.57 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.2 -49.16 75.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.68 -36.89 79.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.62 -41.55 83.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.0 96.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.799 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.89 99.75 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.147 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.62 -41.62 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.615 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.68 -35.5 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.629 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -47.44 79.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.95 85.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.03 -45.58 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.09 -30.92 55.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.729 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -48.6 71.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 m -52.83 -29.42 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.189 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.05 -30.22 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.3 21.37 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 60.3 40.49 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -98.65 37.47 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.735 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.8 mm? -46.04 -61.63 2.4 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.549 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.8 Cg_endo -51.15 -28.89 26.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -30.86 48.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -63.58 -33.61 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.51 94.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.58 -36.49 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.39 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.54 -44.43 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.421 ' CE1' ' HG2' ' A' ' 40' ' ' GLN . 5.7 t-160 -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.77 -41.58 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.9 84.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.57 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -55.47 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -36.56 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.5 -47.15 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -59.75 -43.02 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.0 mt -66.02 -49.47 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -33.51 70.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -69.33 -45.86 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.38 -46.24 90.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -43.78 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.03 -33.24 72.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.21 -51.9 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -63.17 -48.65 77.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.06 -50.1 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -63.14 -35.51 80.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.31 -43.32 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -34.53 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -92.95 13.7 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.09 -54.5 54.65 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.87 47.34 2.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.857 2.371 . . . . 0.0 112.687 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 t -122.7 10.93 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.66 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 t -60.61 -31.37 70.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -72.19 -44.12 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -105.18 26.27 9.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.42 124.14 23.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.079 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.7 m -149.17 138.61 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -107.68 149.26 28.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -61.04 172.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.54 -0.4 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.609 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.62 21.4 9.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.674 0.273 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -69.64 135.56 50.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -116.06 119.11 34.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -56.26 -23.27 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.289 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -69.24 -29.09 66.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.101 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.7 mt -107.47 -23.41 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 1.8 m-85 -112.98 150.12 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 169.67 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 p -63.48 -24.77 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.34 19.55 9.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.247 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.21 75.9 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.9 p -113.09 -28.35 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 p -125.73 168.05 14.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.03 -55.08 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -61.67 -29.07 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.69 -53.6 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -62.27 -39.35 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.85 -46.91 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.58 -40.64 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.03 -39.61 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.22 93.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.0 -37.33 93.69 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.213 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -31.93 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.84 -56.31 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.52 -38.84 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.656 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.61 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.62 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.71 -48.48 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -43.41 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.18 -26.88 60.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.3 -26.8 31.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.341 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.0 m -52.67 -28.62 13.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.22 -30.78 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.11 -4.33 58.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.386 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 63.82 49.5 2.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -117.32 37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 3.7 mm? -47.94 -50.15 55.16 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.408 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 74.5 Cg_exo -49.28 -26.5 11.53 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.404 2.07 . . . . 0.0 112.373 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.12 -24.24 60.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.3 t -54.72 -30.57 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.205 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.1 61.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -35.02 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.718 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.27 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.51 -43.4 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -62.78 -37.25 85.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.679 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.82 -46.41 90.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.679 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.81 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.63 -35.15 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -66.92 -41.25 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -49.17 78.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.36 -36.87 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.4 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . . . -60.24 -44.41 95.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mt -65.46 -38.85 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.84 -31.34 70.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -47.01 67.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.72 75.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.28 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.46 -38.06 83.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.76 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -65.54 -37.74 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -39.72 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -65.01 -33.92 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.39 -34.28 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -36.64 57.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.7 m -101.23 13.8 33.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.287 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.52 -55.15 15.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.699 0.285 . . . . 0.0 111.447 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -86.7 39.11 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.856 2.371 . . . . 0.0 113.315 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.6 m -122.65 18.68 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 p -69.81 -29.3 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -70.07 -37.16 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -119.34 26.24 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.24 124.15 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -147.67 128.96 14.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.48 149.33 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -68.86 175.82 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.68 2.07 52.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.559 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.01 21.37 6.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.689 0.281 . . . . 0.0 111.225 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -68.37 138.24 55.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.08 130.14 56.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -22.95 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.8 42.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.164 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.64 -24.08 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.366 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -112.99 164.95 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 174.7 6.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -66.66 -25.77 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.52 7.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.99 84.42 2.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -129.48 13.77 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.252 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -164.27 169.53 17.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.24 -55.04 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.47 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.776 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -34.25 77.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tp -64.27 -45.74 86.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -64.24 -40.26 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.07 -40.91 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.611 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.67 -42.28 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.29 -37.86 94.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.202 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.09 -33.27 59.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -67.85 -49.52 61.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.658 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.72 -36.54 80.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -50.91 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.828 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tp -66.98 -45.94 76.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.712 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -42.14 95.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.644 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -76.83 -26.83 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.77 -29.14 53.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.382 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.11 -28.86 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.253 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -30.51 63.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 15.71 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 54.27 49.18 19.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.863 0.364 . . . . 0.0 111.124 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -98.3 37.38 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.9 mm? -53.11 -59.48 9.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.479 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 10.7 Cg_endo -54.12 -24.42 33.1 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.481 2.121 . . . . 0.0 112.373 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.01 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.9 t -60.76 -29.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.08 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.277 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -49.35 65.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.4 -30.31 68.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.4 -54.22 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -32.42 72.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -69.07 -47.17 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mt -65.83 -46.46 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.005 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.85 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.52 -56.58 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -61.06 -45.59 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.27 -44.19 83.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.057 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -46.47 89.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 13.4 mt -63.41 -46.34 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.31 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.202 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -49.01 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -39.22 76.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.43 -30.42 69.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.74 -52.25 18.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -36.16 80.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -42.55 76.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -68.65 -25.88 65.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.66 -42.85 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -81.24 -42.12 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.4 m -91.39 13.86 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.503 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -57.55 -61.66 6.82 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 98.4 Cg_endo -78.7 62.7 8.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -113.73 -21.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -51.77 -26.04 8.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.71 0.29 . . . . 0.0 111.305 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.97 -51.76 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -116.12 26.23 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 123.86 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.5 t -147.11 126.88 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -101.73 149.27 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.14 176.44 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.47 2.02 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.66 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -84.96 5.11 30.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -59.2 136.91 58.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.54 129.98 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.786 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -67.2 -13.67 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.388 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -70.98 -39.06 72.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 111.257 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -19.46 12.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.349 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -117.36 158.38 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -96.53 163.98 12.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.2 t -63.95 -23.18 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -20.96 62.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.33 93.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.7 p -106.6 -31.69 8.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 p -150.45 179.27 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.51 -39.99 77.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.742 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.37 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.1 m -62.11 -48.08 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mt -64.34 -48.81 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.725 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -60.89 -36.65 79.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.25 -44.12 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.71 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.63 97.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.57 -39.67 98.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.248 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.82 -31.8 57.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.686 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.06 -48.82 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.16 -41.18 90.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.789 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.8 79.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.05 67.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -64.57 -49.73 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -33.84 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -76.75 -26.86 55.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.43 -29.51 35.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.476 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -59.13 -34.65 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.01 -24.94 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -95.14 21.39 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 56.82 38.54 29.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.904 0.383 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -109.08 37.38 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 71.0 mt -54.8 -56.32 28.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.404 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 20.2 Cg_endo -60.73 -26.45 83.01 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.342 2.028 . . . . 0.0 112.284 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.62 -28.13 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.0 -29.1 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.61 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -51.44 56.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.78 -33.58 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.54 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.99 -35.7 75.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -34.83 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.61 -45.1 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.58 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.92 -32.52 73.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.62 -49.53 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.41 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.85 -47.2 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mt -64.64 -41.65 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.14 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -61.28 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.32 -49.93 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -40.54 95.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.3 tp -66.49 -46.59 75.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.2 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.3 m -67.94 -40.16 83.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.6 tp -68.44 -37.23 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -30.34 62.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.47 -34.78 41.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.33 -40.29 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -91.94 13.73 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.401 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.4 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -65.83 -60.45 7.23 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.677 0.275 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 86.1 Cg_endo -80.08 53.73 4.88 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.65 2.233 . . . . 0.0 112.585 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.68 5.36 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.71 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -29.25 70.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.795 0.331 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -73.59 -30.59 63.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.73 26.4 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.01 122.77 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.29 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 56.0 m -149.34 125.56 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -98.1 148.63 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 t -78.26 176.56 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.37 2.0 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.26 21.34 7.07 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -63.96 143.07 58.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.54 127.93 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -27.05 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.97 -28.27 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.3 mt -90.89 -30.83 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -113.1 164.92 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.008 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.4 174.75 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 p -66.44 -28.17 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.34 21.4 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.281 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.58 96.35 6.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.044 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -128.26 3.72 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.524 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.7 p -156.79 176.41 12.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.08 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -54.42 47.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -32.34 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.47 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.4 m -67.16 -37.78 84.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.12 -48.97 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -32.58 74.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.617 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.43 87.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.02 99.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.14 97.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.334 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -32.03 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.46 -47.41 64.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.782 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.51 -39.25 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.776 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.9 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.2 -29.48 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.83 -46.09 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -67.76 -35.89 79.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.723 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.12 -30.5 55.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.25 89.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.296 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.35 -28.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.207 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -31.0 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.98 21.34 10.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 59.34 40.8 20.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.26 37.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.995 0.426 . . . . 0.0 110.713 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.539 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 5.0 mt -46.75 -54.1 21.61 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.663 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 17.6 Cg_endo -58.07 -28.01 81.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.96 . . . . 0.0 112.237 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -31.57 49.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.0 t -60.93 -34.6 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.79 88.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -69.21 -48.6 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.53 -30.52 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.21 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.22 -30.01 70.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.68 -43.2 85.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.85 92.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.78 72.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -69.46 -48.87 59.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -43.02 96.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.9 mt -62.77 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.44 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -54.23 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -35.09 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.088 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -70.37 -44.26 68.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.39 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -63.55 -37.2 86.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.75 -38.48 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -26.02 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.27 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.112 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -81.36 -37.75 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.73 13.78 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.501 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . . . -63.07 -61.82 6.72 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 78.9 Cg_endo -77.39 63.68 7.87 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.175 . . . . 0.0 112.383 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.9 m -120.94 -5.55 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -58.0 -25.32 60.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -62.86 -51.71 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.08 26.29 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.7 122.61 22.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.3 131.93 15.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.97 143.13 38.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.8 p -61.64 156.6 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.92 2.03 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.653 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 21.46 8.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 111.211 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -63.36 154.91 30.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.071 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.63 112.22 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.4 -25.55 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.351 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.71 -25.57 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.167 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -109.05 -24.61 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.263 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -114.3 164.93 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.405 ' OE1' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -90.95 174.73 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -68.31 -30.57 69.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -20.85 57.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 88.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -116.05 -33.25 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.4 p -143.13 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.3 mt -58.33 -49.29 77.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -36.93 76.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.25 82.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -66.34 -42.56 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.47 -49.33 77.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.74 -31.57 72.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -55.82 18.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.63 -38.6 81.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.26 -39.57 97.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -35.43 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.767 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -68.48 -45.01 73.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.36 -31.53 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.13 -50.71 52.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.831 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -64.55 -35.04 79.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.01 -28.67 55.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.9 80.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.435 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.8 m -54.91 -29.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.318 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.65 -29.43 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.17 21.41 8.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 60.86 40.65 15.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -108.53 37.35 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 30.7 mt -52.67 -44.33 95.07 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.434 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.3 Cg_exo -57.36 -35.54 98.87 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.289 1.993 . . . . 0.0 112.236 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.46 -29.72 69.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.28 -29.25 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.92 -51.75 66.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -48.31 68.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.33 -37.87 81.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.72 -53.04 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.405 ' CE1' ' OE1' ' A' ' 40' ' ' GLN . 1.9 t-160 -65.77 -43.86 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.99 -48.73 79.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.16 77.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -69.83 -52.31 26.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.45 -43.72 96.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.83 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.27 92.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.7 mt -62.75 -38.79 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.74 79.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -69.28 -52.6 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -43.63 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.86 -53.54 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -36.19 74.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.95 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -34.28 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -71.55 -29.91 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -48.66 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.029 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -29.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -81.31 -35.63 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.159 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.4 m -105.73 13.9 29.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.494 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -67.44 -58.22 9.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.584 0.231 . . . . 0.0 111.415 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 70.7 Cg_endo -86.32 41.76 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.779 2.319 . . . . 0.0 113.149 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 m -122.73 6.6 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.09 -31.06 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -120.74 26.26 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.043 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.28 127.49 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.5 m -148.26 125.53 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -105.13 149.32 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 158.17 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.87 -2.17 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.601 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -96.24 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.726 0.298 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -62.67 143.66 57.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 128.44 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -63.12 -18.35 63.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.353 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.56 -32.34 71.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.415 HD12 ' CD2' ' A' ' 39' ' ' PHE . 3.2 pp -109.93 -23.09 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -112.97 164.82 12.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.904 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -78.46 152.56 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 m -57.29 -30.77 64.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -102.31 21.49 14.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.217 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.39 96.08 8.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.7 -7.57 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.8 p -142.07 168.6 19.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.91 -49.27 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.007 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -35.98 81.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.09 -53.71 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.5 p -66.89 -37.18 83.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 tp -62.28 -47.1 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.12 -47.68 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.636 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.39 -36.86 85.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.5 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.62 -29.81 72.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.335 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.21 -58.09 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.793 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -65.44 -32.25 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.745 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -51.1 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.54 71.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.27 -54.34 30.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.751 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -36.8 75.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -76.86 -26.89 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.86 -26.87 38.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.317 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -53.25 -30.13 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.253 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.05 -29.89 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.81 18.05 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 53.62 57.27 6.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -110.3 36.37 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 4.3 mt -58.25 -44.06 98.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.407 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.7 Cg_exo -60.71 -29.12 87.71 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 0.0 112.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -26.2 47.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -56.94 -30.3 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.01 -53.03 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -48.34 75.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mt -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.21 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -40.38 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.19 -51.07 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mt -58.93 -46.95 86.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.36 78.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.34 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.86 -56.3 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mt -57.38 -39.23 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -40.45 96.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -62.12 -46.48 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -64.08 -48.91 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.86 89.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -60.71 -42.56 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.04 -48.44 78.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.768 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.714 -0.154 . . . . 0.0 112.714 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -70.52 -47.0 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 111.035 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.28 -44.45 84.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.18 -52.18 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.301 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -60.98 -38.57 86.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -38.05 64.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.209 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -69.62 -37.3 76.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.18 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.19 -28.42 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.2 -45.42 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.05 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.35 13.79 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.277 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -56.24 -50.65 86.3 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.483 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 22' ' ' ALA . 98.3 Cg_endo -85.09 26.68 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.775 2.317 . . . . 0.0 113.127 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.2 t -108.37 22.87 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 111.204 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -73.09 -30.76 63.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.952 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.34 -35.1 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -112.86 26.21 10.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.1 122.75 24.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 m -149.25 126.67 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -102.3 143.41 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 172.68 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.42 1.99 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.572 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -95.85 21.41 8.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.734 0.302 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.404 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 28.9 p90 -62.4 135.44 57.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.99 130.04 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -63.69 -23.2 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.86 -35.41 32.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.5 mt -86.68 -30.14 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -123.09 164.87 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.29 173.08 8.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 t -67.96 -22.3 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -95.02 21.47 7.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.193 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.05 90.69 3.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.843 0.354 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -129.37 13.84 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.18 165.18 35.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.6 mt -59.66 -53.85 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -31.27 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.717 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -33.11 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -54.54 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.86 -43.1 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.32 -45.25 92.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.66 -39.76 85.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.657 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.2 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.805 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.12 -39.07 96.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.133 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -31.68 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.652 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.84 -52.84 25.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.693 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.32 -35.61 79.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.34 84.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.94 72.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.16 -41.13 86.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -40.6 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.728 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.87 -26.88 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.18 -29.32 57.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -58.26 -30.68 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -28.85 63.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -96.26 21.29 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 54.4 37.9 28.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -97.6 37.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.7 mt -55.62 -44.67 99.77 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.8 Cg_exo -58.49 -29.9 90.08 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.325 2.016 . . . . 0.0 112.239 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -29.76 53.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.4 t -57.9 -30.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.83 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -50.72 42.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.88 -40.23 88.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.96 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.8 -35.61 76.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -68.32 -43.16 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.04 -47.18 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.09 -32.63 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -50.11 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.2 mt -65.51 -47.08 77.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -37.16 76.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.2 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.4 mt -68.86 -48.87 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.16 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.95 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -64.78 -49.68 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.653 -0.179 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -76.28 -50.67 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.06 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -33.93 69.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.34 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.4 t -64.21 -47.56 79.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.263 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.36 -46.63 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -65.91 -26.55 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -59.78 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.31 -33.84 63.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.81 13.86 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.557 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -66.31 -61.78 4.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-O 120.63 0.253 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 95.4 Cg_endo -78.53 59.77 7.31 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.561 2.174 . . . . 0.0 112.541 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.8 m -122.55 18.65 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.467 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 m -64.34 -26.21 68.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -78.27 -35.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.159 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.19 26.2 10.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.76 123.93 29.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.212 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 m -149.29 135.74 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mt -104.4 149.33 25.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 t -62.79 175.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.19 -2.36 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.555 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.94 21.35 8.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -62.13 126.65 28.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.04 130.04 53.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -67.06 -25.91 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -37.27 40.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.9 -31.09 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.014 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -114.4 150.49 34.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.33 168.74 19.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.5 p -59.56 -39.26 83.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -75.04 -20.93 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 83.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -111.67 -26.77 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.03 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -133.9 -179.7 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.0 mt -59.23 -49.92 76.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.045 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -31.83 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.36 -39.72 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -45.86 89.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.67 -48.48 74.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.86 -39.81 82.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -42.45 99.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.75 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.33 -41.95 99.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.337 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -69.71 -31.24 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.88 -51.08 24.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.24 -44.9 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.32 -28.84 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.4 -43.86 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -45.08 93.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -76.9 -26.8 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.07 -31.61 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.483 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.8 m -56.42 -30.1 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.302 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.65 -25.25 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -100.41 21.33 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 54.46 51.84 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.16 37.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 1.5 mt -52.8 -52.39 65.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.498 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 35.2 Cg_endo -64.73 -24.45 61.99 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.378 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -26.98 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.0 t -55.73 -31.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.61 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -49.91 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -31.56 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.5 -53.46 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.51 -35.89 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -64.99 -42.07 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 mt -67.65 -46.75 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.28 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.18 98.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -55.8 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.0 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -48.54 69.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -47.85 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.02 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.9 -48.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.47 66.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -52.5 13.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.19 -46.99 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.652 -0.179 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.03 -42.23 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.71 -41.97 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -52.22 62.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.228 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.7 m -65.13 -42.88 93.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.69 -43.08 85.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -68.2 -26.04 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.63 -57.76 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -41.22 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.471 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 13.89 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.62 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . . . -61.49 -60.95 8.87 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 111.253 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 66.7 Cg_endo -73.78 62.84 4.79 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.605 2.203 . . . . 0.0 112.481 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.96 15.36 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.4 p -62.25 -41.68 98.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -32.79 70.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.81 26.22 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB3' ' HB ' ' A' ' 45' ' ' THR . . . -76.67 125.23 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.292 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -149.33 133.28 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.4 mt -108.13 149.1 28.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 169.84 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -6.22 56.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.641 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -95.28 21.39 8.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.69 0.281 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -59.88 142.61 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.55 130.06 56.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.675 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -68.86 -23.4 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -74.53 -33.51 62.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.213 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.4 mt -97.43 -29.95 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.203 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.447 ' CZ ' ' CB ' ' A' ' 85' ' ' ALA . 10.3 m-85 -113.49 165.03 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.41 164.92 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -63.08 -30.75 71.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -20.8 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.45 89.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.6 p -113.74 -30.23 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 28' ' ' ALA . 31.3 p -144.33 -179.64 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.19 -55.4 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.735 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -57.45 -44.44 84.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.7 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -68.34 -39.82 81.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.67 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -72.46 -34.08 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.02 -49.78 41.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.669 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.23 -47.04 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.07 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.34 -30.32 77.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.205 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -34.68 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.634 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -66.2 -49.42 67.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.71 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.06 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.7 -37.14 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -74.49 -40.72 61.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -76.92 -26.81 54.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.26 -29.21 46.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -57.73 -31.08 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.98 -28.42 60.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.64 21.23 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.247 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 54.08 59.49 4.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 111.029 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.67 32.44 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 8.4 mp -55.29 -50.66 85.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 50.7 Cg_exo -53.13 -30.8 51.87 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.381 2.054 . . . . 0.0 112.234 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -23.8 51.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.49 -32.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.15 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -65.34 -52.01 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.61 -36.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -48.18 82.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.74 -42.63 93.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -61.71 -38.26 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.17 -44.78 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.01 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.79 90.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -45.99 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -43.1 94.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -59.1 -42.19 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.55 -42.49 95.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.2 mt -66.6 -49.29 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.56 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -66.18 -48.92 69.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -66.55 -41.44 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.248 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.03 -39.01 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -40.14 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -52.25 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -70.29 -41.04 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.73 -60.05 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -30.44 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -55.92 23.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -75.63 -29.93 59.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.6 m -93.84 13.74 21.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.32 -56.59 12.46 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.746 0.308 . . . . 0.0 111.035 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -83.75 48.43 2.59 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.792 2.328 . . . . 0.0 112.614 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.6 5.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 p -62.04 -35.36 78.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.29 -34.72 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -115.58 26.17 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.61 126.86 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -148.65 135.8 20.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.49 146.52 24.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.83 176.2 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.77 -2.2 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -96.19 21.35 9.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -61.53 137.73 58.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -115.6 130.02 56.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -26.74 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -30.8 53.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.8 mt -91.67 -32.37 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.8 152.4 32.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 164.15 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -63.26 -23.67 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -95.17 21.48 7.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.209 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.34 103.96 10.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.28 13.81 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 p -163.5 171.81 15.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.35 -50.62 73.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.793 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.35 83.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.58 -43.5 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.5 mt -61.35 -48.34 81.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.72 -42.85 99.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.61 -41.71 98.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.25 93.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.19 -36.76 93.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.427 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.46 -31.63 62.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -65.78 -52.8 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.96 -38.39 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -51.19 66.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.05 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.69 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.9 tp -73.58 -41.44 62.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -44.2 90.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -76.91 -27.76 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.96 64.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.458 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -55.54 -30.25 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.259 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.38 21.3 11.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 57.39 56.83 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.32 37.32 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.3 mt -60.62 -45.12 97.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.29 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.7 Cg_exo -58.8 -28.42 86.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.296 1.997 . . . . 0.0 112.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -23.85 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.5 t -57.75 -29.02 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.256 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -51.94 25.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -41.77 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.27 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.17 87.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.97 -44.59 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.04 -39.53 92.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.46 -51.99 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.5 70.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -65.31 -55.63 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -31.39 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.16 -41.6 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.92 -37.6 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 mt -69.12 -41.76 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.41 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.31 -50.55 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.31 -52.16 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -69.35 -48.74 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.53 -39.88 77.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.14 -52.23 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 m -65.11 -33.87 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.59 -43.33 59.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -30.22 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.45 -36.51 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.2 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.3 -32.17 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.193 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 m -101.24 13.81 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.48 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -55.49 -60.0 9.67 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.647 0.261 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.411 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 87.6 Cg_endo -81.36 63.66 8.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.724 2.282 . . . . 0.0 112.448 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.1 m -121.34 19.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.519 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -63.87 -26.95 68.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -79.21 -48.87 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.49 26.17 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.61 122.67 28.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -149.4 125.59 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -106.63 143.52 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -71.26 157.63 37.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.96 -2.95 57.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.595 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -95.99 21.39 8.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -64.98 154.88 36.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -103.47 130.1 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -69.07 -24.62 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -88.63 -27.13 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.285 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.13 -27.0 17.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.232 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -112.99 164.92 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -84.91 174.06 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -78.24 -21.92 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -94.8 21.44 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.08 93.54 7.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.2 p -109.43 -31.17 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -146.11 178.67 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.24 -41.05 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.52 -30.71 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.77 -40.48 40.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -42.86 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tp -66.31 -47.2 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.649 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.84 -39.56 94.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.22 -42.14 96.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.79 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.83 99.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.3 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -32.45 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.717 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -64.59 -53.44 47.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.8 -36.46 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.72 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.33 -47.36 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -34.82 78.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.42 -44.97 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -62.7 -40.33 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.85 -26.87 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.51 -29.01 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.369 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -54.76 -26.47 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.3 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -63.0 -28.74 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.72 14.6 28.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.23 59.76 2.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -95.35 37.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.916 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -49.47 -52.15 52.28 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.722 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 33.1 Cg_endo -64.46 -41.83 18.91 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.173 1.915 . . . . 0.0 112.393 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.26 -26.88 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.08 -29.25 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.183 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -53.11 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -66.99 -46.87 73.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.87 -39.38 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.45 -38.15 83.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -45.12 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -38.68 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.39 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.43 94.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -65.51 -48.93 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -35.21 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.47 -46.75 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mt -63.76 -46.37 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.61 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -69.31 -46.41 67.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -45.8 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.66 -40.33 92.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -46.48 83.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.7 90.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.0 m -71.24 -50.02 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.02 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -34.9 79.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -67.37 -43.99 80.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -37.27 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -39.0 61.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.18 13.63 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -55.74 35.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.32 44.89 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.811 2.34 . . . . 0.0 112.773 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 t -122.67 22.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.314 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -31.4 68.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -71.06 -30.7 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -119.49 26.17 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.18 124.57 30.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -149.24 131.73 15.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.9 mt -108.66 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 161.81 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.21 1.86 42.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.553 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -98.82 21.34 11.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.664 0.269 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -60.03 145.88 44.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -116.34 128.68 55.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -20.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -35.57 57.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.21 -29.91 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.08 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -117.75 164.93 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 174.55 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t -65.9 -27.13 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -88.95 9.49 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.37 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.74 88.32 4.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.801 0.334 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.04 -31.84 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.5 p -137.31 -179.71 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.58 -53.4 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -30.46 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.6 -53.7 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -65.14 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.7 tp -64.65 -46.85 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.662 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.767 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.99 -42.81 99.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.66 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.9 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.02 97.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.339 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -41.5 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.787 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -66.31 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -50.62 67.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.74 87.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.25 77.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -40.09 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.793 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -62.03 -48.11 81.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -76.86 -26.89 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.72 -26.87 36.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.319 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.0 m -53.39 -30.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.289 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.66 -29.03 61.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -76.35 -5.82 48.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.426 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 61.34 38.18 16.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -100.95 37.51 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 3.6 mm? -44.88 -50.49 25.42 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.463 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 52.0 Cg_exo -52.42 -34.83 63.01 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.38 2.054 . . . . 0.0 112.223 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -78.24 -26.61 47.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.995 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.4 t -55.63 -32.11 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.93 98.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -67.78 -46.3 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mp -60.82 -41.46 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.67 96.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -42.26 97.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -41.4 87.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.714 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.22 -44.93 82.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.51 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.79 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -49.63 74.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -43.88 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.14 -37.62 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.91 97.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.8 mt -64.98 -43.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.28 91.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.3 78.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.89 -48.58 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.62 -49.83 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.03 -35.06 75.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.36 -44.58 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -36.74 74.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -31.07 58.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -45.12 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -74.06 -35.28 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 t -92.77 13.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.01 -56.97 29.73 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -83.18 47.73 2.49 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.739 2.292 . . . . 0.0 112.739 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 t -122.62 10.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.551 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -61.28 -45.55 94.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.072 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.75 -42.26 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -100.79 26.24 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.97 124.5 34.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -149.13 136.04 19.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.06 149.28 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -68.88 163.74 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.48 -5.75 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.569 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 21.46 8.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.674 0.274 . . . . 0.0 111.167 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -62.73 154.15 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.54 128.01 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -68.1 -22.57 64.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.95 -28.33 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 82' ' ' GLN . 11.2 m-85 -114.74 162.26 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -86.37 170.67 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 m -68.27 -30.92 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -79.12 -20.97 47.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.13 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.359 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 t -111.59 -25.56 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 p -138.55 173.3 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.7 mt -55.37 -55.11 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.15 -35.95 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.14 99.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.6 m -66.2 -38.15 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.761 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.3 mt -60.64 -46.72 89.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.702 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -44.63 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 -41.5 97.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.631 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.86 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.61 96.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.287 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -36.75 78.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -64.46 -33.64 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.728 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 tp -75.11 -44.05 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.515 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.89 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.62 49.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.785 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -75.72 -40.76 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -76.93 -26.87 54.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.3 -29.67 48.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.93 -29.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.228 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -68.92 -30.45 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.81 21.32 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.211 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -97.54 37.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mt -55.76 -44.49 99.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.375 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 33.8 Cg_exo -59.76 -31.4 94.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.038 . . . . 0.0 112.149 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -27.05 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.7 t -57.55 -31.61 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.78 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -45.68 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.801 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.8 -38.79 92.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.9 -51.02 71.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.72 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.19 -46.68 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mt -60.77 -49.63 76.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.806 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.11 86.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.09 98.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.42 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 3.5 tt0 -66.06 -50.48 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -39.67 72.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.64 -30.9 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.29 73.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.37 -46.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.13 83.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -68.68 -53.91 19.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -51.38 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.804 0.335 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.4 -65.86 0.28 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 p -57.66 -26.99 62.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.49 -26.65 41.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.255 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.9 mt -69.34 -50.48 46.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.191 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.6 -29.96 60.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.119 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -43.76 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.71 -34.91 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -46.24 63.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -50.76 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -38.74 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.09 -48.04 79.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -41.28 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.75 -37.11 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -46.73 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -62.69 -50.88 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -44.95 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -29.99 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.029 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.83 -48.85 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -70.02 -34.03 72.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -98.72 13.79 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.312 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . . . -60.34 -61.45 7.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.668 0.271 . . . . 0.0 111.147 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 73.8 Cg_endo -75.51 60.1 5.71 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.548 2.165 . . . . 0.0 112.485 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.6 m -119.31 -11.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.747 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.2 p -59.95 -21.85 61.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.432 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.4 -42.0 68.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.762 0.315 . . . . 0.0 111.329 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 26.26 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.158 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.91 122.6 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -149.4 126.03 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -100.73 136.24 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.5 p -59.9 176.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.11 1.84 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.575 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -97.31 21.34 10.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.41 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 10.6 p90 -63.04 145.0 56.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.046 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.01 130.05 53.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' NH2' ' CD1' ' A' ' 34' ' ' PHE . 10.9 mmp_? -65.81 -22.29 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -76.44 -44.37 36.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.187 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.8 mt -84.29 -31.07 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -115.06 152.19 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.11 170.91 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.5 m -64.0 -36.42 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.14 -20.91 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 87.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -110.67 -27.89 8.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -138.84 175.04 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.6 -54.95 40.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -57.14 -35.76 69.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.85 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.94 -48.57 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.744 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.02 -40.44 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.34 -49.03 75.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.759 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.31 -41.67 89.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.13 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.91 -38.2 95.75 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.317 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.6 -31.88 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.18 -54.14 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.88 -37.99 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.78 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.69 -54.85 41.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.4 81.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.16 -31.65 72.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -72.2 -44.25 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.93 -27.84 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.5 -28.21 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.7 m -56.1 -29.52 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.329 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.56 -29.18 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 14.09 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 54.52 48.32 20.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.908 0.385 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -97.24 37.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.7 mm? -52.4 -49.37 85.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.349 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 55.8 Cg_exo -51.61 -33.05 46.93 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.353 2.036 . . . . 0.0 112.283 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.02 -24.76 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.68 -29.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.069 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.96 -52.78 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -48.54 67.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -33.8 72.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.96 -44.54 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.81 -43.9 97.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.52 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.05 94.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.99 -37.42 85.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.44 -52.23 66.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.5 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.38 -41.34 69.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.24 96.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.3 mt -65.97 -44.22 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.048 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -50.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 8.4 mt-10 -61.42 -48.11 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.62 75.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -66.24 -43.51 86.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.98 -57.2 13.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 11.8 m95 -61.2 -24.15 66.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.976 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m 67.22 150.69 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tp -65.27 80.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.79 30.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 61.04 165.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 7.8 m95 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.913 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mmm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.748 0.308 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.31 43.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.067 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.9 m -77.81 -17.95 56.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.26 -25.25 42.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.402 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -50.19 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.349 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 2.8 pp -56.77 -50.83 71.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.38 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 3.9 pp -63.87 -39.48 94.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.019 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -66.15 -31.28 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -73.98 -36.06 64.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.12 -47.97 72.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.99 -40.14 83.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.87 -34.94 91.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.577 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -74.01 -51.13 16.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.7 -35.55 76.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.026 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.89 -52.22 38.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 m -63.1 -50.24 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -51.19 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.065 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -62.27 -26.12 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.41 -43.39 32.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.079 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -29.61 45.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.052 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.76 13.88 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.359 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.33 -54.79 45.9 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.212 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -84.8 44.66 1.51 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.792 2.328 . . . . 0.0 112.792 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.3 t -122.7 22.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.206 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.0 p -66.86 -32.39 73.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.059 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.31 -29.85 60.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.22 26.16 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.57 127.6 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.201 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -149.21 125.51 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -97.65 135.52 39.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 p -61.72 175.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.39 1.94 49.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.538 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -96.85 21.42 9.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.642 0.258 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -62.59 149.01 44.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 123.96 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -63.4 -27.53 69.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -34.92 30.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.048 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.45 -31.17 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.31 160.71 19.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.36 170.72 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -63.89 -23.37 67.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.51 21.44 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.212 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.29 89.47 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -109.97 -26.95 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.5 p -138.44 178.72 6.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.2 mt -58.24 -47.8 82.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.91 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.29 -53.75 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.4 -39.01 91.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.52 -45.58 92.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -42.92 99.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.95 -38.42 85.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.28 -38.29 95.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.284 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.6 -33.28 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.677 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.85 -54.18 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.667 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 pp -63.92 -35.55 81.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.782 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.49 -54.85 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.47 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.13 -39.88 86.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.692 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -36.39 76.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.689 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -76.99 -27.57 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.15 -37.73 69.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.39 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.0 m -56.22 -29.56 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.19 -30.59 70.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -101.03 21.36 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 58.74 55.31 4.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -109.82 37.38 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 80.5 mt -50.97 -54.36 38.2 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.67 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 19.8 Cg_endo -58.55 -26.23 77.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.278 1.986 . . . . 0.0 112.44 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -30.56 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.828 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.1 t -58.47 -31.66 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.65 93.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.31 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -33.59 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.27 77.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -62.26 -44.5 96.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -62.27 -36.87 83.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.49 -48.96 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.89 82.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.87 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.86 -45.78 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -46.77 88.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.77 -41.94 87.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.95 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.0 mt -65.42 -43.35 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.88 78.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -53.76 50.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 13.2 pt-20 -61.21 -42.83 99.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.51 86.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.8 p -76.14 -34.91 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.23 -60.58 3.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 9.9 m95 -62.15 -25.62 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 m -71.23 64.3 0.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.63 24.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.016 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -167.19 31.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.788 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.91 38.42 24.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.816 0.341 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.4 -66.1 0.27 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 p -57.34 -30.77 65.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.62 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.12 -46.08 24.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.78 -46.16 90.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.25 -37.83 84.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -70.96 -44.66 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -51.23 70.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -46.64 88.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -60.57 -40.36 91.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.33 -46.54 69.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -67.35 -46.34 73.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.78 -44.89 93.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -67.6 -40.85 84.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.41 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -31.27 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.124 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.48 -42.75 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.314 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -40.81 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.59 13.7 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.552 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.431 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -67.36 -62.35 3.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.606 0.241 . . . . 0.0 110.972 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.431 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 83.9 Cg_endo -80.74 56.4 6.07 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.156 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -115.8 -3.93 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.716 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 p -58.34 -21.72 50.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.718 0.294 . . . . 0.0 111.188 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -71.69 -51.76 21.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.145 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -111.77 26.14 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.18 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 125.34 24.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.6 m -149.2 126.82 11.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.79 140.67 29.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -65.98 151.94 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.36 -10.73 60.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.549 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.3 21.48 6.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.209 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -56.93 144.15 34.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.38 127.86 54.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -68.79 -25.85 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -77.75 -29.2 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -93.84 -32.43 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.006 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 72.4 m-85 -119.68 160.58 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.87 167.93 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.3 t -64.74 -29.41 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -20.82 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.0 89.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.79 -33.88 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.9 p -137.66 172.99 12.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.6 -48.97 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.36 -40.01 85.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.77 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.992 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.14 -45.34 92.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 tp -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -39.39 84.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.07 -38.27 88.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.725 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.21 90.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.67 97.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.344 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.67 -31.6 66.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -66.04 -54.83 20.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.19 -37.71 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.55 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.97 -34.05 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.49 -38.31 77.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.771 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -42.29 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -76.97 -26.88 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.14 67.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.424 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.2 m -54.07 -28.96 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.334 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -27.05 61.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -95.83 21.25 8.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 58.88 43.78 17.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -100.9 37.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 39.1 mt -55.47 -57.49 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.392 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 27.9 Cg_endo -62.51 -22.4 73.97 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.309 2.006 . . . . 0.0 112.395 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -27.11 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.013 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.9 t -55.76 -26.67 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.406 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.63 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -41.96 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.52 -38.39 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.43 76.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.21 -40.78 86.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -68.13 -43.92 77.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.41 -52.58 64.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.84 -48.92 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.64 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.45 -52.64 64.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -44.81 92.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.22 -43.16 99.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.415 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -62.85 -45.66 91.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.0 mt -62.65 -44.86 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -46.43 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 23.3 mt-10 -63.84 -54.9 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.4 -40.22 81.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 t -71.66 -30.64 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.95 -59.56 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 12.5 m95 -57.27 -24.33 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.3 t -69.75 145.95 51.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.87 53.84 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.18 37.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 58.12 92.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tmm? . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -108.77 -58.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.6 m -61.98 -36.95 83.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.31 89.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -59.88 -44.86 93.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -74.25 -26.53 60.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.21 -46.67 87.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.061 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.6 -35.86 75.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.23 -41.77 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.022 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -47.16 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -63.42 -40.07 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.0 -49.39 72.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -66.67 -43.85 83.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -28.98 67.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.01 57.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -68.21 -44.98 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.038 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -54.18 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.219 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -63.93 -30.33 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.084 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -66.93 -42.51 85.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -38.63 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.26 13.75 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.284 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -57.83 21.43 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.684 0.278 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.43 52.05 4.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.723 2.282 . . . . 0.0 112.666 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.8 t -122.6 16.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.373 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -29.24 68.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -65.47 -41.07 93.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.93 26.26 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.1 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.3 141.64 24.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 m -61.69 176.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.24 1.97 38.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.642 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -89.52 9.41 26.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.623 0.249 . . . . 0.0 111.376 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -65.27 143.2 57.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.64 118.89 32.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -59.13 -19.65 46.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.383 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -74.14 -43.39 57.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.39 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD13 ' CG ' ' A' ' 39' ' ' PHE . 4.3 pp -94.79 -17.91 21.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.535 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.426 ' CG ' HD13 ' A' ' 38' ' ' LEU . 3.2 m-85 -112.86 159.32 19.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.974 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.64 168.1 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.5 m -70.65 -31.82 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.62 -10.75 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.357 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.18 90.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -113.05 -33.18 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 p -136.3 170.2 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -57.79 -53.96 52.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -42.5 79.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.87 76.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -43.84 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.12 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.04 -37.75 83.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.708 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.44 -42.32 87.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -45.92 95.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.275 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.17 -37.68 83.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.61 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -65.56 -38.02 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.64 -47.29 84.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.722 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.46 79.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.01 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.6 tp -68.54 -47.62 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.721 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -42.26 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.78 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -76.96 -26.81 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.91 -28.57 37.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.369 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.3 m -57.35 -29.8 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.44 -30.7 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -96.93 21.1 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 54.59 45.94 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.91 0.386 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -97.27 37.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -58.54 -48.03 97.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.177 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 28.2 Cg_exo -61.73 -31.99 86.24 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.357 2.038 . . . . 0.0 112.178 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -26.05 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.9 t -53.22 -28.16 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.23 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.8 87.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -43.42 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.65 -33.75 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.87 -54.22 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.57 -34.7 74.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -73.12 -50.11 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.4 -44.11 92.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.95 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.32 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -44.35 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -52.86 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.19 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.96 -46.42 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.63 71.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.288 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.29 -36.42 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -60.16 -59.09 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.87 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.73 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.5 t -59.55 -31.03 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.92 -59.79 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 10.7 m95 -58.65 -26.76 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 p 60.62 -164.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.71 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.02 64.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 178.43 61.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.673 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 170.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.108 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 49.4 p90 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.897 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.819 0.343 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -131.32 164.88 24.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -74.83 -38.76 61.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.44 -27.13 41.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.216 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mt -76.2 -48.86 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.142 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.12 -41.55 75.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.135 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.8 -32.2 71.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -46.53 85.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -34.42 56.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.46 -36.29 77.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -54.56 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.21 97.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.602 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -66.56 -37.87 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -48.29 78.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.011 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -63.26 -51.94 64.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -34.22 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -69.99 -37.27 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.049 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -37.38 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.042 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -28.81 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.03 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 m -108.54 13.75 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . . . -62.95 -62.24 6.02 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 85.0 Cg_endo -77.5 60.63 7.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.515 2.143 . . . . 0.0 112.346 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -118.47 -9.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.754 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.13 -21.25 45.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.657 0.265 . . . . 0.0 111.389 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -51.77 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.8 26.29 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.18 122.8 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -149.26 125.51 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mt -101.28 149.32 24.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -66.59 166.65 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -7.45 54.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 21.32 7.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -60.94 148.26 40.41 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -109.9 130.02 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -20.49 66.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.21 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -45.91 45.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.068 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.3 -30.54 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' A' ' 39' ' ' PHE . 4.1 m-85 -115.45 154.06 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.67 173.64 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -78.08 -23.23 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -94.12 19.19 9.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.52 99.43 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.6 p -121.52 0.75 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.423 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.0 p -148.94 169.3 20.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -32.67 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.01 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.35 -53.97 40.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.71 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -64.26 -42.74 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.694 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.41 -43.33 96.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.79 96.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.767 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.29 97.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.225 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.658 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.01 -44.93 94.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.667 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.15 87.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.06 -59.21 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -61.09 -29.03 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -76.93 -31.13 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -53.87 -26.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.02 -24.2 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -106.92 21.38 17.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 63.02 55.97 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.926 0.393 . . . . 0.0 111.157 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.83 37.32 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 6.5 mt -52.86 -57.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.478 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.7 Cg_endo -53.22 -25.78 31.4 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.372 2.048 . . . . 0.0 112.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -78.27 -29.94 48.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.1 -28.38 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.3 82.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -48.29 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.55 -33.81 75.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.32 -54.19 37.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -37.57 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -67.54 -43.13 81.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.87 -46.94 85.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.22 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.0 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -55.03 23.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -44.12 90.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.68 -30.39 71.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -67.33 -43.41 81.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.9 mm -65.63 -46.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.11 82.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -70.83 -45.76 63.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.76 -48.34 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.17 90.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.5 p -68.27 -30.76 69.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.14 -52.94 29.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -59.0 -24.74 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 t -56.76 -22.51 36.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.262 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.07 58.57 0.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.88 31.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 58.22 30.58 19.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.866 0.365 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -108.97 160.77 15.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -17.11 63.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.234 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.39 67.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.339 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.5 -53.5 47.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.177 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pp -74.7 -33.18 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.978 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -42.02 96.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.722 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -60.45 -36.38 78.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -71.63 -35.45 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -44.71 73.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.13 -40.72 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.29 -46.73 93.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -42.64 86.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.4 -36.84 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 m -68.52 -33.67 74.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -73.86 -33.39 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.48 -32.66 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.023 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.08 -39.46 49.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -81.34 -40.91 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.95 13.82 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.4 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . . . -53.53 -61.83 4.53 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.648 0.261 . . . . 0.0 111.226 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 72.4 Cg_endo -76.31 60.42 6.36 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.544 2.163 . . . . 0.0 112.214 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.0 -18.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.501 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.8 p -47.55 -28.27 2.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.747 0.308 . . . . 0.0 111.465 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.11 -51.74 68.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -119.8 26.21 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 122.77 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.25 128.72 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 mt -97.96 149.34 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -56.67 156.96 5.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.1 -1.42 52.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.571 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -96.25 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -65.26 146.45 54.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.75 121.42 38.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.659 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -63.57 -16.81 61.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.09 -31.12 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.387 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' ' 39' ' ' PHE . 4.6 pp -114.01 -17.71 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.606 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.435 ' CE2' ' CB ' ' A' ' 85' ' ' ALA . 1.1 m-85 -112.9 157.74 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.81 155.8 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -64.63 -34.84 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -20.94 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.224 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 86.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.6 p -112.13 -29.57 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.5 p -130.86 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -56.65 -41.69 77.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -70.92 -36.22 72.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.7 82.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.0 p -73.17 -37.39 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.59 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -44.59 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.679 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.72 -36.71 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.43 -45.63 90.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.52 -42.23 99.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.267 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.8 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.8 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.31 -55.32 14.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.35 -37.47 83.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.67 81.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.08 -42.48 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.749 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -44.56 95.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -76.89 -26.91 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.64 -31.69 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.9 m -56.19 -30.13 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.297 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -26.87 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -95.37 21.38 8.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 59.07 59.47 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -114.36 35.84 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 7.3 mp -55.79 -61.76 5.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.216 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 11.5 Cg_endo -55.12 -23.05 34.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.529 2.153 . . . . 0.0 112.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -26.22 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.23 -26.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.334 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -48.89 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.61 -32.04 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.03 -49.77 47.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.02 -32.39 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.696 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -75.24 -46.86 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.765 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.61 -48.1 82.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.95 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.414 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.69 -50.43 73.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.39 -42.71 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.435 ' CB ' ' CE2' ' A' ' 39' ' ' PHE . . . -63.7 -40.89 97.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 mt -70.77 -39.7 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.93 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.88 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 12.3 pt-20 -60.27 -47.6 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.768 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.61 -34.2 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.028 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m -71.03 -37.05 72.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.67 86.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 6.3 m95 -64.62 -16.84 63.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.2 29.68 4.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.861 0.362 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 58.2 107.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.026 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -160.08 29.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 58.11 72.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 4.1 t90 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.904 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -103.82 168.28 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.1 p -77.36 -25.1 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.7 -56.79 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.332 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -36.85 85.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.996 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.0 -36.78 77.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -31.11 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.91 -51.93 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -63.75 -50.41 69.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.002 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -48.37 81.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.016 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.41 -33.89 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.8 -47.01 79.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.556 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.36 -41.79 76.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.979 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.74 -50.28 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.23 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.288 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -61.63 -54.07 47.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -29.95 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -47.87 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.75 -38.95 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -35.9 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 t -106.93 13.84 27.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.395 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -54.63 51.67 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.669 0.271 . . . . 0.0 111.243 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.39 50.22 3.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.732 2.288 . . . . 0.0 112.838 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.56 -5.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.686 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -58.4 -26.33 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.798 0.333 . . . . 0.0 111.223 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.75 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -123.16 26.24 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.02 122.64 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -149.31 140.05 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -109.0 149.38 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.48 172.67 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.55 2.02 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.55 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.76 21.42 7.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -69.08 142.22 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.98 123.3 44.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -21.42 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -89.73 -26.31 20.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.288 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.2 -23.15 18.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.372 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' CE1' ' HB1' ' A' ' 85' ' ' ALA . 31.4 m-85 -112.94 157.61 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.048 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.421 ' HG2' ' CE1' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -81.53 174.77 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.796 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.7 p -72.72 -29.73 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.43 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.02 89.18 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -112.78 -28.17 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.8 p -130.66 173.35 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.94 -45.22 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -67.09 -33.1 74.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.762 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.43 -33.27 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -46.57 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.2 -49.16 75.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.68 -36.89 79.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.62 -41.55 83.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.0 96.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.799 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.89 99.75 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.147 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.62 -41.62 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.615 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.68 -35.5 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.629 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -47.44 79.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.95 85.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.03 -45.58 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.09 -30.92 55.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.729 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -48.6 71.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 m -52.83 -29.42 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.189 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.05 -30.22 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.3 21.37 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 60.3 40.49 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -98.65 37.47 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.735 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.8 mm? -46.04 -61.63 2.4 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.549 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.8 Cg_endo -51.15 -28.89 26.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -30.86 48.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -63.58 -33.61 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.51 94.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.58 -36.49 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.39 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.54 -44.43 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.421 ' CE1' ' HG2' ' A' ' 40' ' ' GLN . 5.7 t-160 -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.77 -41.58 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.9 84.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.57 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -55.47 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -36.56 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.5 -47.15 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -59.75 -43.02 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.0 mt -66.02 -49.47 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -33.51 70.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -69.33 -45.86 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 1.3 tp10 -60.38 -46.24 90.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.2 86.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -66.22 -30.51 70.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.63 -57.31 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.224 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 13.7 m95 -57.34 -26.21 60.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -74.52 -7.83 54.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.432 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 tp -97.59 30.31 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.77 0.319 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -164.3 30.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.52 107.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 15.9 t90 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.897 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.808 0.337 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.33 169.93 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.4 m -75.82 -37.18 59.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.03 38.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.12 -37.86 88.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -66.51 -27.7 67.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -52.43 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.125 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -60.47 -34.88 74.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -51.98 16.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.953 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.06 -53.16 61.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.013 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -69.05 -33.92 74.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.07 -45.08 96.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.571 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -43.78 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.03 -33.24 72.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.21 -51.9 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -63.17 -48.65 77.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.06 -50.1 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -63.14 -35.51 80.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.31 -43.32 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -34.53 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -92.95 13.7 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.09 -54.5 54.65 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.87 47.34 2.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.857 2.371 . . . . 0.0 112.687 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 t -122.7 10.93 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.66 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 t -60.61 -31.37 70.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -72.19 -44.12 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -105.18 26.27 9.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.42 124.14 23.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.079 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.7 m -149.17 138.61 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -107.68 149.26 28.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -61.04 172.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.54 -0.4 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.609 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.62 21.4 9.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.674 0.273 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -69.64 135.56 50.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -116.06 119.11 34.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -56.26 -23.27 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.289 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -69.24 -29.09 66.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.101 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.7 mt -107.47 -23.41 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 1.8 m-85 -112.98 150.12 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 169.67 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 p -63.48 -24.77 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.34 19.55 9.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.247 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.21 75.9 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.9 p -113.09 -28.35 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 p -125.73 168.05 14.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.03 -55.08 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -61.67 -29.07 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.69 -53.6 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -62.27 -39.35 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.85 -46.91 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.58 -40.64 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.03 -39.61 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.22 93.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.0 -37.33 93.69 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.213 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -31.93 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.84 -56.31 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.52 -38.84 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.656 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.61 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.62 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.71 -48.48 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -43.41 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.18 -26.88 60.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.3 -26.8 31.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.341 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.0 m -52.67 -28.62 13.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.22 -30.78 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.11 -4.33 58.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.386 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 63.82 49.5 2.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -117.32 37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 3.7 mm? -47.94 -50.15 55.16 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.408 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 74.5 Cg_exo -49.28 -26.5 11.53 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.404 2.07 . . . . 0.0 112.373 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.12 -24.24 60.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.3 t -54.72 -30.57 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.205 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.1 61.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -35.02 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.718 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.27 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.51 -43.4 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -62.78 -37.25 85.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.679 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.82 -46.41 90.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.679 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.81 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.63 -35.15 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -66.92 -41.25 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -49.17 78.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.36 -36.87 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.4 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . . . -60.24 -44.41 95.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mt -65.46 -38.85 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.84 -31.34 70.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -47.01 67.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.72 75.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.53 77.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t -73.38 -32.26 64.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.11 -59.76 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -58.67 -30.57 67.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -99.63 -175.47 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 tp -129.13 32.67 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -177.44 46.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 42.37 93.99 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.623 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.809 0.338 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -147.78 145.79 28.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m -62.58 -40.17 96.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.16 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.49 -40.45 91.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.47 -30.91 68.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -52.36 44.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.54 -36.11 82.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -68.1 -57.59 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.96 -46.48 89.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.51 -35.81 75.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.43 50.57 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.28 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.46 -38.06 83.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.76 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -65.54 -37.74 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -39.72 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -65.01 -33.92 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.39 -34.28 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -36.64 57.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.7 m -101.23 13.8 33.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.287 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.52 -55.15 15.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.699 0.285 . . . . 0.0 111.447 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -86.7 39.11 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.856 2.371 . . . . 0.0 113.315 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.6 m -122.65 18.68 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 p -69.81 -29.3 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -70.07 -37.16 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -119.34 26.24 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.24 124.15 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -147.67 128.96 14.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.48 149.33 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -68.86 175.82 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.68 2.07 52.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.559 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.01 21.37 6.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.689 0.281 . . . . 0.0 111.225 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -68.37 138.24 55.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.08 130.14 56.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -22.95 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.8 42.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.164 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.64 -24.08 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.366 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -112.99 164.95 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 174.7 6.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -66.66 -25.77 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.52 7.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.99 84.42 2.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -129.48 13.77 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.252 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -164.27 169.53 17.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.24 -55.04 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.47 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.776 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -34.25 77.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tp -64.27 -45.74 86.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -64.24 -40.26 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.07 -40.91 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.611 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.67 -42.28 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.29 -37.86 94.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.202 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.09 -33.27 59.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -67.85 -49.52 61.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.658 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.72 -36.54 80.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -50.91 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.828 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tp -66.98 -45.94 76.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.712 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -42.14 95.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.644 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -76.83 -26.83 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.77 -29.14 53.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.382 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.11 -28.86 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.253 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -30.51 63.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 15.71 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 54.27 49.18 19.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.863 0.364 . . . . 0.0 111.124 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -98.3 37.38 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.9 mm? -53.11 -59.48 9.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.479 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 10.7 Cg_endo -54.12 -24.42 33.1 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.481 2.121 . . . . 0.0 112.373 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.01 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.9 t -60.76 -29.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.08 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.277 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -49.35 65.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.4 -30.31 68.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.4 -54.22 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -32.42 72.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -69.07 -47.17 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mt -65.83 -46.46 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.005 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.85 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.52 -56.58 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -61.06 -45.59 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.27 -44.19 83.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.057 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -46.47 89.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 13.4 mt -63.41 -46.34 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.31 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.202 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -49.01 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.22 89.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m -69.07 -31.45 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.23 -51.91 52.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.461 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 10.0 m95 -59.22 -26.45 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -65.85 -15.24 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.542 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 mt -109.72 30.78 6.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.705 0.288 . . . . 0.0 111.27 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.62 29.83 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.18 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.21 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.051 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.461 ' CZ3' ' CD1' ' A' ' 93' ' ' TRP . 3.4 t90 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -153.96 30.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -77.7 -26.16 49.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.86 15.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.319 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -31.63 71.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.03 -51.1 63.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.44 -34.17 65.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -64.16 -42.98 96.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -40.45 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.22 -42.12 80.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.82 -37.37 84.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.997 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.43 -49.56 55.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -39.22 76.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.43 -30.42 69.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.74 -52.25 18.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -36.16 80.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -42.55 76.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -68.65 -25.88 65.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.66 -42.85 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -81.24 -42.12 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.4 m -91.39 13.86 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.503 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -57.55 -61.66 6.82 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 98.4 Cg_endo -78.7 62.7 8.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -113.73 -21.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -51.77 -26.04 8.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.71 0.29 . . . . 0.0 111.305 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.97 -51.76 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -116.12 26.23 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 123.86 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.5 t -147.11 126.88 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -101.73 149.27 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.14 176.44 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.47 2.02 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.66 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -84.96 5.11 30.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -59.2 136.91 58.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.54 129.98 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.786 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -67.2 -13.67 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.388 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -70.98 -39.06 72.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 111.257 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -19.46 12.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.349 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -117.36 158.38 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -96.53 163.98 12.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.2 t -63.95 -23.18 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -20.96 62.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.33 93.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.7 p -106.6 -31.69 8.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 p -150.45 179.27 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.51 -39.99 77.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.742 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.37 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.1 m -62.11 -48.08 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mt -64.34 -48.81 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.725 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -60.89 -36.65 79.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.25 -44.12 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.71 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.63 97.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.57 -39.67 98.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.248 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.82 -31.8 57.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.686 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.06 -48.82 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.16 -41.18 90.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.789 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.8 79.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.05 67.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -64.57 -49.73 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -33.84 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -76.75 -26.86 55.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.43 -29.51 35.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.476 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -59.13 -34.65 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.01 -24.94 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -95.14 21.39 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 56.82 38.54 29.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.904 0.383 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -109.08 37.38 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 71.0 mt -54.8 -56.32 28.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.404 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 20.2 Cg_endo -60.73 -26.45 83.01 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.342 2.028 . . . . 0.0 112.284 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.62 -28.13 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.0 -29.1 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.61 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -51.44 56.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.78 -33.58 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.54 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.99 -35.7 75.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -34.83 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.61 -45.1 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.58 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.92 -32.52 73.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.62 -49.53 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.41 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.85 -47.2 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mt -64.64 -41.65 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.14 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -61.28 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 5.0 mt-10 -60.32 -49.93 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.14 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -36.44 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.96 -53.43 20.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 10.8 m95 -63.41 -17.54 62.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 p -49.45 167.99 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.813 0.34 . . . . 0.0 111.215 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.33 33.92 16.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.11 28.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 57.06 31.49 20.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 66.8 t90 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.95 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.89 0.376 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.74 97.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.3 p -64.18 -27.56 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.91 -28.7 68.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.197 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.2 mt -73.9 -53.47 10.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.02 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.24 -30.17 70.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -43.59 98.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -60.12 -40.77 90.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -45.98 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.47 -34.63 74.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.53 -49.48 32.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.45 -50.7 62.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.561 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -40.54 95.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.3 tp -66.49 -46.59 75.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.2 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.3 m -67.94 -40.16 83.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.6 tp -68.44 -37.23 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -30.34 62.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.47 -34.78 41.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.33 -40.29 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -91.94 13.73 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.401 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.4 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -65.83 -60.45 7.23 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.677 0.275 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 86.1 Cg_endo -80.08 53.73 4.88 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.65 2.233 . . . . 0.0 112.585 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.68 5.36 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.71 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -29.25 70.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.795 0.331 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -73.59 -30.59 63.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.73 26.4 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.01 122.77 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.29 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 56.0 m -149.34 125.56 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -98.1 148.63 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 t -78.26 176.56 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.37 2.0 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.26 21.34 7.07 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -63.96 143.07 58.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.54 127.93 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -27.05 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.97 -28.27 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.3 mt -90.89 -30.83 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -113.1 164.92 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.008 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.4 174.75 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 p -66.44 -28.17 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.34 21.4 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.281 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.58 96.35 6.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.044 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -128.26 3.72 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.524 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.7 p -156.79 176.41 12.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.08 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -54.42 47.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -32.34 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.47 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.4 m -67.16 -37.78 84.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.12 -48.97 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -32.58 74.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.617 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.43 87.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.02 99.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.14 97.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.334 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -32.03 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.46 -47.41 64.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.782 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.51 -39.25 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.776 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.9 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.2 -29.48 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.83 -46.09 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -67.76 -35.89 79.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.723 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.12 -30.5 55.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.25 89.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.296 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.35 -28.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.207 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -31.0 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.98 21.34 10.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 59.34 40.8 20.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.26 37.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.995 0.426 . . . . 0.0 110.713 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.539 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 5.0 mt -46.75 -54.1 21.61 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.663 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 17.6 Cg_endo -58.07 -28.01 81.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.96 . . . . 0.0 112.237 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -31.57 49.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.0 t -60.93 -34.6 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.79 88.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -69.21 -48.6 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.53 -30.52 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.21 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.22 -30.01 70.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.68 -43.2 85.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.85 92.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.78 72.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -69.46 -48.87 59.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -43.02 96.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.9 mt -62.77 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.44 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -54.23 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -64.87 -35.09 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.51 -38.28 89.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m -76.15 -27.29 56.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.57 -60.28 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.298 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 7.4 m95 -56.96 -31.06 64.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.62 152.52 28.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 tp -96.53 52.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 25.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 54.89 59.58 3.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.862 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -147.37 157.11 43.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -77.78 -26.85 50.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.68 -56.42 21.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.283 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.35 -30.33 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mt -64.68 -48.73 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.61 -35.71 81.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.81 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.65 -47.32 75.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -60.96 -39.64 90.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -53.11 61.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.4 -44.86 95.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.65 -45.64 94.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.566 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -70.37 -44.26 68.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.39 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -63.55 -37.2 86.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.75 -38.48 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -26.02 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.27 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.112 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -81.36 -37.75 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.73 13.78 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.501 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . . . -63.07 -61.82 6.72 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 78.9 Cg_endo -77.39 63.68 7.87 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.175 . . . . 0.0 112.383 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.9 m -120.94 -5.55 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -58.0 -25.32 60.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -62.86 -51.71 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.08 26.29 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.7 122.61 22.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.3 131.93 15.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.97 143.13 38.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.8 p -61.64 156.6 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.92 2.03 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.653 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 21.46 8.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 111.211 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -63.36 154.91 30.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.071 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.63 112.22 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.4 -25.55 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.351 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.71 -25.57 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.167 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -109.05 -24.61 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.263 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -114.3 164.93 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.405 ' OE1' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -90.95 174.73 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -68.31 -30.57 69.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -20.85 57.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 88.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -116.05 -33.25 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.4 p -143.13 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.3 mt -58.33 -49.29 77.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -36.93 76.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.25 82.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -66.34 -42.56 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.47 -49.33 77.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.74 -31.57 72.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -55.82 18.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.63 -38.6 81.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.26 -39.57 97.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -35.43 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.767 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -68.48 -45.01 73.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.36 -31.53 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.13 -50.71 52.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.831 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -64.55 -35.04 79.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.01 -28.67 55.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.9 80.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.435 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.8 m -54.91 -29.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.318 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.65 -29.43 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.17 21.41 8.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 60.86 40.65 15.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -108.53 37.35 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 30.7 mt -52.67 -44.33 95.07 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.434 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.3 Cg_exo -57.36 -35.54 98.87 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.289 1.993 . . . . 0.0 112.236 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.46 -29.72 69.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.28 -29.25 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.92 -51.75 66.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -48.31 68.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.33 -37.87 81.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.72 -53.04 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.405 ' CE1' ' OE1' ' A' ' 40' ' ' GLN . 1.9 t-160 -65.77 -43.86 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.99 -48.73 79.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.16 77.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -69.83 -52.31 26.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.45 -43.72 96.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.83 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.27 92.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.7 mt -62.75 -38.79 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.74 79.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -69.28 -52.6 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -60.73 -43.63 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.02 85.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -69.27 -31.55 70.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.7 -54.4 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.403 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 13.2 m95 -59.42 -29.02 67.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t -58.05 162.52 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.4 tp 60.7 28.28 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -162.37 29.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 51.55 27.92 4.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.204 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.934 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.771 0.319 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -70.68 164.51 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -31.46 66.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.34 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.31 -52.93 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mt -61.37 -34.7 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tp -66.7 -52.46 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.99 -43.76 98.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -60.05 -55.81 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.05 -33.67 72.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.44 -47.06 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.95 -44.34 98.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.86 -53.54 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -36.19 74.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.95 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -34.28 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -71.55 -29.91 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -48.66 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.029 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -29.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -81.31 -35.63 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.159 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.4 m -105.73 13.9 29.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.494 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -67.44 -58.22 9.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.584 0.231 . . . . 0.0 111.415 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 70.7 Cg_endo -86.32 41.76 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.779 2.319 . . . . 0.0 113.149 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 m -122.73 6.6 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.09 -31.06 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -120.74 26.26 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.043 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.28 127.49 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.5 m -148.26 125.53 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -105.13 149.32 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 158.17 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.87 -2.17 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.601 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -96.24 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.726 0.298 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -62.67 143.66 57.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 128.44 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -63.12 -18.35 63.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.353 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.56 -32.34 71.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.415 HD12 ' CD2' ' A' ' 39' ' ' PHE . 3.2 pp -109.93 -23.09 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -112.97 164.82 12.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.904 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -78.46 152.56 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 m -57.29 -30.77 64.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -102.31 21.49 14.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.217 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.39 96.08 8.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.7 -7.57 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.8 p -142.07 168.6 19.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.91 -49.27 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.007 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -35.98 81.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.09 -53.71 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.5 p -66.89 -37.18 83.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 tp -62.28 -47.1 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.12 -47.68 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.636 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.39 -36.86 85.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.5 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.62 -29.81 72.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.335 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.21 -58.09 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.793 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -65.44 -32.25 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.745 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -51.1 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.54 71.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.27 -54.34 30.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.751 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -36.8 75.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -76.86 -26.89 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.86 -26.87 38.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.317 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -53.25 -30.13 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.253 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.05 -29.89 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.81 18.05 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 53.62 57.27 6.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -110.3 36.37 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 4.3 mt -58.25 -44.06 98.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.407 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.7 Cg_exo -60.71 -29.12 87.71 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 0.0 112.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -26.2 47.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -56.94 -30.3 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.01 -53.03 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -48.34 75.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mt -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.21 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -40.38 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.19 -51.07 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mt -58.93 -46.95 86.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.36 78.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.34 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.86 -56.3 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mt -57.38 -39.23 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -40.45 96.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -62.12 -46.48 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -64.08 -48.91 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.86 89.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -60.71 -42.56 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 7.5 mt-10 -63.04 -48.44 78.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.768 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.23 82.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -30.05 68.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.22 94.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.403 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 10.1 m95 -59.84 -34.07 72.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -59.43 134.26 56.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.7 tt 60.61 41.24 15.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -157.74 27.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.78 110.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.824 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.783 0.325 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.97 132.85 39.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -77.86 -25.89 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.7 -56.88 15.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.445 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 pp -56.82 -29.78 63.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.051 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.16 -35.09 49.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -41.57 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.68 -30.65 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -54.83 7.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.055 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.51 -31.12 69.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.59 -48.18 23.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.71 94.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.714 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -70.52 -47.0 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 111.035 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.28 -44.45 84.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.18 -52.18 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.301 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -60.98 -38.57 86.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -38.05 64.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.209 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -69.62 -37.3 76.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.18 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.19 -28.42 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.2 -45.42 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.05 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.35 13.79 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.277 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -56.24 -50.65 86.3 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.483 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 22' ' ' ALA . 98.3 Cg_endo -85.09 26.68 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.775 2.317 . . . . 0.0 113.127 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.2 t -108.37 22.87 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 111.204 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -73.09 -30.76 63.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.952 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.34 -35.1 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -112.86 26.21 10.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.1 122.75 24.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 m -149.25 126.67 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -102.3 143.41 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 172.68 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.42 1.99 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.572 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -95.85 21.41 8.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.734 0.302 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.404 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 28.9 p90 -62.4 135.44 57.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.99 130.04 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -63.69 -23.2 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.86 -35.41 32.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.5 mt -86.68 -30.14 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -123.09 164.87 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.29 173.08 8.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 t -67.96 -22.3 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -95.02 21.47 7.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.193 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.05 90.69 3.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.843 0.354 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -129.37 13.84 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.18 165.18 35.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.6 mt -59.66 -53.85 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -31.27 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.717 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -33.11 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -54.54 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.86 -43.1 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.32 -45.25 92.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.66 -39.76 85.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.657 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.2 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.805 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.12 -39.07 96.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.133 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -31.68 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.652 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.84 -52.84 25.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.693 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.32 -35.61 79.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.34 84.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.94 72.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.16 -41.13 86.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -40.6 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.728 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.87 -26.88 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.18 -29.32 57.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -58.26 -30.68 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -28.85 63.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -96.26 21.29 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 54.4 37.9 28.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -97.6 37.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.7 mt -55.62 -44.67 99.77 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.8 Cg_exo -58.49 -29.9 90.08 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.325 2.016 . . . . 0.0 112.239 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -29.76 53.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.4 t -57.9 -30.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.83 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -50.72 42.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.88 -40.23 88.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.96 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.8 -35.61 76.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -68.32 -43.16 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.04 -47.18 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.09 -32.63 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -50.11 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.2 mt -65.51 -47.08 77.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -37.16 76.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.2 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.4 mt -68.86 -48.87 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.16 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.95 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 11.4 mt-10 -64.78 -49.68 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.96 -50.57 73.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.1 m -65.69 -30.92 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.37 -47.01 87.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 11.0 m95 -58.73 -26.75 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.95 166.58 0.73 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 60.72 34.54 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.796 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -176.85 38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 63.21 102.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.5 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.06 176.51 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -60.42 -34.8 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.31 97.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.39 -32.03 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.44 -50.06 66.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -43.95 90.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -41.53 98.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -72.11 -47.46 51.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -62.04 -53.14 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.32 -32.56 70.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.05 -41.42 81.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.653 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -76.28 -50.67 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.06 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -33.93 69.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.34 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.4 t -64.21 -47.56 79.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.263 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.36 -46.63 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -65.91 -26.55 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -59.78 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.31 -33.84 63.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.81 13.86 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.557 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -66.31 -61.78 4.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-O 120.63 0.253 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 95.4 Cg_endo -78.53 59.77 7.31 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.561 2.174 . . . . 0.0 112.541 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.8 m -122.55 18.65 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.467 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 m -64.34 -26.21 68.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -78.27 -35.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.159 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.19 26.2 10.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.76 123.93 29.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.212 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 m -149.29 135.74 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mt -104.4 149.33 25.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 t -62.79 175.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.19 -2.36 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.555 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.94 21.35 8.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -62.13 126.65 28.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.04 130.04 53.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -67.06 -25.91 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -37.27 40.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.9 -31.09 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.014 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -114.4 150.49 34.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.33 168.74 19.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.5 p -59.56 -39.26 83.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -75.04 -20.93 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 83.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -111.67 -26.77 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.03 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -133.9 -179.7 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.0 mt -59.23 -49.92 76.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.045 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -31.83 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.36 -39.72 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -45.86 89.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.67 -48.48 74.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.86 -39.81 82.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -42.45 99.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.75 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.33 -41.95 99.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.337 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -69.71 -31.24 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.88 -51.08 24.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.24 -44.9 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.32 -28.84 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.4 -43.86 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -45.08 93.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -76.9 -26.8 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.07 -31.61 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.483 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.8 m -56.42 -30.1 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.302 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.65 -25.25 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -100.41 21.33 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 54.46 51.84 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.16 37.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 1.5 mt -52.8 -52.39 65.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.498 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 35.2 Cg_endo -64.73 -24.45 61.99 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.378 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -26.98 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.0 t -55.73 -31.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.61 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -49.91 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -31.56 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.5 -53.46 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.51 -35.89 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -64.99 -42.07 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 mt -67.65 -46.75 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.28 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.18 98.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -55.8 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.0 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -48.54 69.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -47.85 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.02 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.9 -48.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.47 66.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -52.5 13.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.19 -46.99 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.54 77.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -67.83 -30.1 69.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.58 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -59.3 -31.12 68.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -64.88 -19.91 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 mt -98.34 29.93 3.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.03 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.49 37.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.19 164.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.861 0.362 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 144.43 44.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.7 p -62.1 -41.51 98.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.26 94.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -46.4 89.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.42 -38.12 68.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -30.3 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -55.96 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -58.71 -42.74 89.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.78 -53.07 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.023 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.21 -40.73 95.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.77 -44.72 79.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.652 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.03 -42.23 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.71 -41.97 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -52.22 62.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.228 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.7 m -65.13 -42.88 93.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.69 -43.08 85.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -68.2 -26.04 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.63 -57.76 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -41.22 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.471 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 13.89 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.62 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . . . -61.49 -60.95 8.87 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 111.253 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 22' ' ' ALA . 66.7 Cg_endo -73.78 62.84 4.79 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.605 2.203 . . . . 0.0 112.481 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.96 15.36 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.4 p -62.25 -41.68 98.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -32.79 70.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.81 26.22 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB3' ' HB ' ' A' ' 45' ' ' THR . . . -76.67 125.23 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.292 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -149.33 133.28 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.4 mt -108.13 149.1 28.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 169.84 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -6.22 56.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.641 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -95.28 21.39 8.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.69 0.281 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -59.88 142.61 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.55 130.06 56.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.675 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -68.86 -23.4 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -74.53 -33.51 62.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.213 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.4 mt -97.43 -29.95 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.203 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.447 ' CZ ' ' CB ' ' A' ' 85' ' ' ALA . 10.3 m-85 -113.49 165.03 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.41 164.92 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -63.08 -30.75 71.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -20.8 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.45 89.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.6 p -113.74 -30.23 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 28' ' ' ALA . 31.3 p -144.33 -179.64 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.19 -55.4 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.735 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -57.45 -44.44 84.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.7 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -68.34 -39.82 81.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.67 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -72.46 -34.08 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.02 -49.78 41.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.669 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.23 -47.04 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.07 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.34 -30.32 77.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.205 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -34.68 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.634 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -66.2 -49.42 67.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.71 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.06 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.7 -37.14 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -74.49 -40.72 61.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -76.92 -26.81 54.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.26 -29.21 46.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -57.73 -31.08 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.98 -28.42 60.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.64 21.23 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.247 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 54.08 59.49 4.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 111.029 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.67 32.44 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 8.4 mp -55.29 -50.66 85.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 50.7 Cg_exo -53.13 -30.8 51.87 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.381 2.054 . . . . 0.0 112.234 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -23.8 51.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.49 -32.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.15 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -65.34 -52.01 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.61 -36.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -48.18 82.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.74 -42.63 93.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -61.71 -38.26 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.17 -44.78 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.01 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.79 90.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -45.99 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -43.1 94.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -59.1 -42.19 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.55 -42.49 95.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.2 mt -66.6 -49.29 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.56 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -66.18 -48.92 69.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 25.6 mt-10 -66.55 -41.44 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.92 -54.77 40.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.248 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -65.71 -29.06 69.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.83 95.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.26 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 11.1 m95 -58.45 -31.32 67.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.6 p -95.68 153.2 17.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.08 28.23 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -166.53 32.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.16 116.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 6.9 t90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.882 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mptt 60.13 97.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -28.94 62.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.18 -30.65 66.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.78 -42.88 76.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.92 -42.63 94.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -50.26 57.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -38.98 82.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -77.21 -36.18 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -53.07 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -59.51 -43.68 93.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.13 -49.14 68.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.54 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.03 -39.01 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -40.14 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -52.25 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -70.29 -41.04 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.73 -60.05 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -30.44 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -55.92 23.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -75.63 -29.93 59.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.6 m -93.84 13.74 21.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.32 -56.59 12.46 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.746 0.308 . . . . 0.0 111.035 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -83.75 48.43 2.59 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.792 2.328 . . . . 0.0 112.614 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.6 5.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 p -62.04 -35.36 78.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.29 -34.72 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -115.58 26.17 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.61 126.86 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -148.65 135.8 20.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.49 146.52 24.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.83 176.2 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.77 -2.2 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -96.19 21.35 9.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -61.53 137.73 58.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -115.6 130.02 56.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -26.74 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -30.8 53.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.8 mt -91.67 -32.37 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.8 152.4 32.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 164.15 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -63.26 -23.67 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -95.17 21.48 7.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.209 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.34 103.96 10.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.28 13.81 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 p -163.5 171.81 15.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.35 -50.62 73.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.793 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.35 83.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.58 -43.5 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.5 mt -61.35 -48.34 81.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.72 -42.85 99.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.61 -41.71 98.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.25 93.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.19 -36.76 93.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.427 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.46 -31.63 62.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -65.78 -52.8 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.96 -38.39 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -51.19 66.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.05 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.69 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.9 tp -73.58 -41.44 62.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -44.2 90.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -76.91 -27.76 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.96 64.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.458 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -55.54 -30.25 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.259 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.38 21.3 11.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 57.39 56.83 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.32 37.32 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.3 mt -60.62 -45.12 97.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.29 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.7 Cg_exo -58.8 -28.42 86.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.296 1.997 . . . . 0.0 112.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -23.85 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.5 t -57.75 -29.02 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.256 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -51.94 25.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -41.77 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.27 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.17 87.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.97 -44.59 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.04 -39.53 92.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.46 -51.99 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.5 70.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -65.31 -55.63 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -31.39 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.16 -41.6 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.92 -37.6 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 mt -69.12 -41.76 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.41 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.31 -50.55 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.31 -52.16 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.02 91.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.8 m -59.81 -32.37 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.58 -60.3 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -60.84 -28.98 69.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.2 p -68.34 161.64 26.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mt 61.7 18.51 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -178.82 33.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.689 0.281 . . . . 0.0 111.11 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 59.45 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.013 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' ARG . 75.3 m95 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 mtm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.834 0.349 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm 61.37 168.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.1 p -73.24 -15.3 61.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.98 -26.37 59.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.717 0.294 . . . . 0.0 111.351 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.92 -53.51 6.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.041 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.7 -24.88 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -70.45 -50.55 37.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.48 -29.5 66.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -77.28 -47.15 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.27 -48.4 81.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.41 -43.28 86.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.29 -43.66 98.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.55 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -69.35 -48.74 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.53 -39.88 77.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.14 -52.23 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 m -65.11 -33.87 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.59 -43.33 59.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -30.22 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.45 -36.51 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.2 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.3 -32.17 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.193 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 m -101.24 13.81 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.48 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -55.49 -60.0 9.67 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.647 0.261 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.411 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 87.6 Cg_endo -81.36 63.66 8.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.724 2.282 . . . . 0.0 112.448 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.1 m -121.34 19.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.519 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -63.87 -26.95 68.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -79.21 -48.87 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.49 26.17 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.61 122.67 28.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -149.4 125.59 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -106.63 143.52 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -71.26 157.63 37.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.96 -2.95 57.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.595 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -95.99 21.39 8.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -64.98 154.88 36.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -103.47 130.1 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -69.07 -24.62 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -88.63 -27.13 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.285 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.13 -27.0 17.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.232 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -112.99 164.92 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -84.91 174.06 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -78.24 -21.92 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -94.8 21.44 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.08 93.54 7.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.2 p -109.43 -31.17 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -146.11 178.67 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.24 -41.05 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.52 -30.71 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.77 -40.48 40.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -42.86 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tp -66.31 -47.2 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.649 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.84 -39.56 94.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.22 -42.14 96.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.79 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.83 99.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.3 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -32.45 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.717 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -64.59 -53.44 47.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.8 -36.46 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.72 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.33 -47.36 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -34.82 78.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.42 -44.97 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -62.7 -40.33 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.85 -26.87 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.51 -29.01 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.369 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -54.76 -26.47 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.3 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -63.0 -28.74 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.72 14.6 28.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.23 59.76 2.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -95.35 37.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.916 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -49.47 -52.15 52.28 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.722 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 33.1 Cg_endo -64.46 -41.83 18.91 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.173 1.915 . . . . 0.0 112.393 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.26 -26.88 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.08 -29.25 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.183 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -53.11 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -66.99 -46.87 73.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.87 -39.38 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.45 -38.15 83.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -45.12 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -38.68 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.39 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.43 94.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -65.51 -48.93 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -35.21 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.47 -46.75 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mt -63.76 -46.37 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.61 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -69.31 -46.41 67.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -45.8 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.69 94.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.9 m -72.56 -31.05 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.82 -60.12 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -59.74 -29.84 68.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -69.02 159.83 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tp 60.84 37.35 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -160.03 29.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 58.91 43.79 17.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.84 0.352 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -176.43 37.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.7 p -65.87 -28.33 68.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.42 -22.35 44.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.392 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.6 -46.21 19.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.241 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 pp -58.75 -39.35 80.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.166 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 pp -76.67 -35.9 57.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.983 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.73 -44.02 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -37.11 64.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -52.9 63.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.64 -38.87 73.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.66 -48.89 81.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.564 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.66 -40.33 92.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -46.48 83.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.7 90.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.0 m -71.24 -50.02 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.02 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -34.9 79.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -67.37 -43.99 80.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -37.27 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -39.0 61.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.18 13.63 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -55.74 35.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.32 44.89 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.811 2.34 . . . . 0.0 112.773 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 t -122.67 22.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.314 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -31.4 68.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -71.06 -30.7 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -119.49 26.17 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.18 124.57 30.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -149.24 131.73 15.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.9 mt -108.66 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 161.81 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.21 1.86 42.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.553 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -98.82 21.34 11.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.664 0.269 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -60.03 145.88 44.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -116.34 128.68 55.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -20.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -35.57 57.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.21 -29.91 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.08 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -117.75 164.93 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 174.55 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t -65.9 -27.13 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -88.95 9.49 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.37 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.74 88.32 4.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.801 0.334 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.04 -31.84 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.5 p -137.31 -179.71 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.58 -53.4 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -30.46 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.6 -53.7 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -65.14 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.7 tp -64.65 -46.85 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.662 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.767 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.99 -42.81 99.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.66 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.9 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.02 97.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.339 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -41.5 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.787 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -66.31 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -50.62 67.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.74 87.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.25 77.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -40.09 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.793 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -62.03 -48.11 81.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -76.86 -26.89 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.72 -26.87 36.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.319 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.0 m -53.39 -30.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.289 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.66 -29.03 61.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -76.35 -5.82 48.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.426 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 61.34 38.18 16.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -100.95 37.51 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 3.6 mm? -44.88 -50.49 25.42 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.463 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 52.0 Cg_exo -52.42 -34.83 63.01 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.38 2.054 . . . . 0.0 112.223 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -78.24 -26.61 47.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.995 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.4 t -55.63 -32.11 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.93 98.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -67.78 -46.3 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mp -60.82 -41.46 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.67 96.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -42.26 97.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -41.4 87.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.714 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.22 -44.93 82.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.51 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.79 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -49.63 74.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -43.88 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.14 -37.62 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.91 97.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.8 mt -64.98 -43.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.28 91.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.3 78.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.7 OUTLIER -66.89 -48.58 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.41 ' HA ' ' CD1' ' A' ' 93' ' ' TRP . . . -57.72 -42.2 83.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.5 p -76.04 -29.95 58.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.28 99.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.41 ' CD1' ' HA ' ' A' ' 90' ' ' ALA . 7.9 m95 -59.65 -32.8 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t 60.63 105.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.56 57.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.771 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -159.32 52.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.784 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.08 -18.96 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.218 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.819 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm 62.52 118.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -59.91 -25.9 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.25 -31.25 63.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.2 -41.73 98.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.1 mt -78.0 -31.28 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.65 -52.33 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -30.97 69.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -49.05 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.3 -51.31 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.16 -38.36 90.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.69 -42.7 99.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.62 -49.83 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.03 -35.06 75.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.36 -44.58 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -36.74 74.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -31.07 58.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -45.12 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -74.06 -35.28 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 t -92.77 13.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.01 -56.97 29.73 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -83.18 47.73 2.49 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.739 2.292 . . . . 0.0 112.739 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 t -122.62 10.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.551 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -61.28 -45.55 94.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.072 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.75 -42.26 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -100.79 26.24 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.97 124.5 34.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -149.13 136.04 19.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.06 149.28 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -68.88 163.74 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.48 -5.75 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.569 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 21.46 8.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.674 0.274 . . . . 0.0 111.167 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -62.73 154.15 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.54 128.01 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -68.1 -22.57 64.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.95 -28.33 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 82' ' ' GLN . 11.2 m-85 -114.74 162.26 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -86.37 170.67 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 m -68.27 -30.92 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -79.12 -20.97 47.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.13 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.359 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 t -111.59 -25.56 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 p -138.55 173.3 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.7 mt -55.37 -55.11 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.15 -35.95 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.14 99.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.6 m -66.2 -38.15 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.761 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.3 mt -60.64 -46.72 89.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.702 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -44.63 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 -41.5 97.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.631 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.86 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.61 96.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.287 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -36.75 78.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -64.46 -33.64 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.728 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 tp -75.11 -44.05 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.515 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.89 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.62 49.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.785 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -75.72 -40.76 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -76.93 -26.87 54.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.3 -29.67 48.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.93 -29.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.228 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -68.92 -30.45 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.81 21.32 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.211 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -97.54 37.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mt -55.76 -44.49 99.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.375 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 33.8 Cg_exo -59.76 -31.4 94.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.038 . . . . 0.0 112.149 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -27.05 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.7 t -57.55 -31.61 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.78 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -45.68 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.801 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.8 -38.79 92.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.9 -51.02 71.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.72 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.19 -46.68 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mt -60.77 -49.63 76.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.806 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.11 86.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.09 98.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.42 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 3.5 tt0 -66.06 -50.48 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -39.67 72.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.64 -30.9 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.29 73.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.37 -46.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.13 83.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -68.68 -53.91 19.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -51.38 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.0 75.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -69.72 -32.34 70.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.721 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.72 -60.67 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -61.06 -25.41 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.9 93.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.081 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.37 29.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -177.82 38.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.68 86.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -41.28 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 83' ' ' LEU . 2.4 tt -59.75 -37.11 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -46.73 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -62.69 -50.88 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.57 -44.95 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.5 -29.99 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.029 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.83 -48.85 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -70.02 -34.03 72.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG22 ' A' ' 24' ' ' VAL . 87.0 m -98.72 13.79 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.312 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -60.34 -61.45 7.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.668 0.271 . . . . 0.0 111.147 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 73.8 Cg_endo -75.51 60.1 5.71 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.548 2.165 . . . . 0.0 112.485 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 21' ' ' CYS . 34.6 m -119.31 -11.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.747 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.2 p -59.95 -21.85 61.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.432 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.4 -42.0 68.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.762 0.315 . . . . 0.0 111.329 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 26.26 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.158 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.91 122.6 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -149.4 126.03 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 44' ' ' THR . 8.2 mt -100.73 136.24 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.5 p -59.9 176.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.11 1.84 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.575 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -97.31 21.34 10.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.41 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 10.6 p90 -63.04 145.0 56.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.046 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.01 130.05 53.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' NH2' ' CD1' ' A' ' 34' ' ' PHE . 10.9 mmp_? -65.81 -22.29 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -76.44 -44.37 36.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.187 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.608 HD22 ' HB1' ' A' ' 81' ' ' ALA . 69.8 mt -84.29 -31.07 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 34.1 m-85 -115.06 152.19 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.11 170.91 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.5 m -64.0 -36.42 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.14 -20.91 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 87.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.496 ' C ' HD12 ' A' ' 30' ' ' LEU . 10.0 t -110.67 -27.89 8.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.472 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 69.8 p -138.84 175.04 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.6 -54.95 40.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -57.14 -35.76 69.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.472 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -67.72 -34.85 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.94 -48.57 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.744 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.02 -40.44 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.34 -49.03 75.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.759 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.31 -41.67 89.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.13 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.553 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -63.91 -38.2 95.75 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.317 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.6 -31.88 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.18 -54.14 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.7 pp -59.88 -37.99 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -59.69 -54.85 41.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.4 81.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.663 HD11 HG13 ' A' ' 72' ' ' VAL . 15.3 tp -65.16 -31.65 72.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.786 ' O ' HG22 ' A' ' 64' ' ' VAL . 34.0 mtp180 -72.2 -44.25 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -76.93 -27.84 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -58.5 -28.21 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 61' ' ' ARG . 31.7 m -56.1 -29.52 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.329 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.56 -29.18 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 14.09 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 54.52 48.32 20.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.908 0.385 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 41.1 mt-30 -97.24 37.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.7 mm? -52.4 -49.37 85.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.349 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 55.8 Cg_exo -51.61 -33.05 46.93 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.353 2.036 . . . . 0.0 112.283 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 75' ' ' LEU . 4.2 mt-30 -78.02 -24.76 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.663 HG13 HD11 ' A' ' 60' ' ' LEU . 61.2 t -58.68 -29.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.069 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.96 -52.78 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -48.54 67.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -60.13 -33.8 72.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.96 -44.54 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.81 -43.9 97.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.52 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.05 94.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.608 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -65.99 -37.42 85.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.44 -52.23 66.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -62.5 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.38 -41.34 69.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.626 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.02 -43.24 96.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.3 mt -65.97 -44.22 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.048 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -50.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -61.42 -48.11 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -74.01 -51.13 16.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.786 HD11 ' HB1' ' A' ' 53' ' ' ALA . 6.4 tt -60.7 -35.55 76.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.026 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.89 -52.22 38.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 m -63.1 -50.24 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -58.97 -51.19 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.065 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -62.27 -26.12 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.41 -43.39 32.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.079 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -29.61 45.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.052 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.76 13.88 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.359 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.33 -54.79 45.9 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.212 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.759 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.9 Cg_endo -84.8 44.66 1.51 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.792 2.328 . . . . 0.0 112.792 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 24' ' ' VAL . 15.3 t -122.7 22.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.206 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.0 p -66.86 -32.39 73.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.059 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.31 -29.85 60.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.22 26.16 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.672 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -86.57 127.6 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.201 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -149.21 125.51 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.578 HD12 ' C ' ' A' ' 44' ' ' THR . 10.7 mt -97.65 135.52 39.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 p -61.72 175.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.39 1.94 49.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.538 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -96.85 21.42 9.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.642 0.258 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -62.59 149.01 44.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 123.96 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -63.4 -27.53 69.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -34.92 30.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.048 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.481 HD22 ' HB1' ' A' ' 81' ' ' ALA . 70.3 mt -81.45 -31.17 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.31 160.71 19.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.36 170.72 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -63.89 -23.37 67.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.574 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -94.51 21.44 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.212 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.29 89.47 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.578 ' C ' HD12 ' A' ' 30' ' ' LEU . 5.0 t -109.97 -26.95 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.577 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 74.5 p -138.44 178.72 6.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 28' ' ' ALA . 21.2 mt -58.24 -47.8 82.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.91 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -70.29 -53.75 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.4 -39.01 91.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.52 -45.58 92.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -42.92 99.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.95 -38.42 85.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.786 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.28 -38.29 95.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.284 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.6 -33.28 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.677 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.85 -54.18 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.667 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.4 pp -63.92 -35.55 81.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.782 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.478 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.49 -54.85 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.47 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.679 HD12 ' CB ' ' A' ' 75' ' ' LEU . 7.3 tt -67.13 -39.88 86.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.692 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.847 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -69.31 -36.39 76.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.689 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -76.99 -27.57 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -56.15 -37.73 69.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.39 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 61' ' ' ARG . 32.0 m -56.22 -29.56 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.19 -30.59 70.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -101.03 21.36 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 58.74 55.31 4.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 53.7 mt-30 -109.82 37.38 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 80.5 mt -50.97 -54.36 38.2 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.67 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 19.8 Cg_endo -58.55 -26.23 77.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.278 1.986 . . . . 0.0 112.44 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -30.56 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.828 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 68' ' ' GLN . 42.1 t -58.47 -31.66 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.65 93.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.31 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.679 ' CB ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -59.19 -33.59 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.27 77.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -62.26 -44.5 96.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -62.27 -36.87 83.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.49 -48.96 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.89 82.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -64.76 -47.87 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.86 -45.78 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.541 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -60.51 -46.77 88.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.77 -41.94 87.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.95 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 83' ' ' LEU . 6.0 mt -65.42 -43.35 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.88 78.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -53.76 50.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.21 -42.83 99.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -67.35 -46.34 73.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.493 HD11 HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.78 -44.89 93.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -67.6 -40.85 84.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.83 HD21 HG21 ' A' ' 86' ' ' ILE . 1.1 tp -64.41 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.82 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.12 -31.27 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.124 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.48 -42.75 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.314 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -40.81 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.595 ' O ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -90.59 13.7 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.552 -179.713 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.858 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.36 -62.35 3.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.606 0.241 . . . . 0.0 110.972 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 83.9 Cg_endo -80.74 56.4 6.07 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.156 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 21' ' ' CYS . 13.9 p -115.8 -3.93 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.716 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 p -58.34 -21.72 50.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.718 0.294 . . . . 0.0 111.188 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -71.69 -51.76 21.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.145 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CZ ' HG23 ' A' ' 24' ' ' VAL . 26.4 p90 -111.77 26.14 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.18 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -65.08 125.34 24.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.6 m -149.2 126.82 11.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 44' ' ' THR . 6.1 mt -90.79 140.67 29.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -65.98 151.94 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.36 -10.73 60.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.549 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.3 21.48 6.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.209 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -56.93 144.15 34.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -118.38 127.86 54.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -68.79 -25.85 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -77.75 -29.2 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.614 HD23 ' HB1' ' A' ' 81' ' ' ALA . 12.4 mt -93.84 -32.43 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.006 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 72.4 m-85 -119.68 160.58 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.87 167.93 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.3 t -64.74 -29.41 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -20.82 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.0 89.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.635 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -112.79 -33.88 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.9 p -137.66 172.99 12.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 24' ' ' VAL . 12.6 mt -59.6 -48.97 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.36 -40.01 85.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.77 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.992 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.14 -45.34 92.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 18' ' ' ARG . 3.4 tp -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -39.39 84.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.07 -38.27 88.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.725 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.21 90.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.67 97.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.344 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.67 -31.6 66.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -66.04 -54.83 20.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.8 pp -62.19 -37.71 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.59 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.37 -37.55 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -73.97 -34.05 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' A' ' 75' ' ' LEU . 7.8 tt -69.49 -38.31 77.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.771 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.815 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -70.88 -42.29 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -76.97 -26.88 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -56.1 -36.14 67.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.424 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.2 m -54.07 -28.96 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.334 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -27.05 61.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -95.83 21.25 8.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 58.88 43.78 17.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.7 mt-30 -100.9 37.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 39.1 mt -55.47 -57.49 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.392 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 27.9 Cg_endo -62.51 -22.4 73.97 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.309 2.006 . . . . 0.0 112.395 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -27.11 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.013 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 68' ' ' GLN . 23.9 t -55.76 -26.67 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.406 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.63 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -41.96 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.773 ' HB3' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -63.52 -38.39 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.43 76.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.21 -40.78 86.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -68.13 -43.92 77.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.43 HD21 ' N ' ' A' ' 57' ' ' LEU . 1.2 mt -60.41 -52.58 64.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.84 -48.92 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.614 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -58.77 -45.64 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.45 -52.64 64.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -59.23 -44.81 92.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.22 -43.16 99.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -62.85 -45.66 91.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.83 HG21 HD21 ' A' ' 17' ' ' LEU . 7.0 mt -62.65 -44.86 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -46.43 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.84 -54.9 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -66.67 -43.85 83.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.679 HD11 ' HB1' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -68.52 -28.98 67.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.01 57.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 17' ' ' LEU . 12.9 t -68.21 -44.98 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.038 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -58.41 -54.18 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.219 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 7.6 ptm180 -63.93 -30.33 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.084 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -66.93 -42.51 85.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -38.63 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.2 m -93.26 13.75 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.0 -57.83 21.43 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.684 0.278 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 87.0 Cg_endo -81.43 52.05 4.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.723 2.282 . . . . 0.0 112.666 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.709 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 15.8 t -122.6 16.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.373 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -29.24 68.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -65.47 -41.07 93.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.93 26.26 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.1 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.3 141.64 24.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 m -61.69 176.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.24 1.97 38.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.642 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -89.52 9.41 26.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.623 0.249 . . . . 0.0 111.376 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -65.27 143.2 57.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.64 118.89 32.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.61 HH12 HG23 ' A' ' 41' ' ' THR . 49.3 mtt-85 -59.13 -19.65 46.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.383 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -74.14 -43.39 57.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.39 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -94.79 -17.91 21.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.535 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -112.86 159.32 19.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.974 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.64 168.1 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.61 HG23 HH12 ' A' ' 36' ' ' ARG . 39.5 m -70.65 -31.82 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.62 -10.75 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.357 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.18 90.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -113.05 -33.18 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 p -136.3 170.2 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -57.79 -53.96 52.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -42.5 79.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.87 76.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -43.84 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.764 HD21 HD23 ' A' ' 17' ' ' LEU . 48.9 mt -60.12 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.04 -37.75 83.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.708 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.44 -42.32 87.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -45.92 95.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.275 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.17 -37.68 83.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.61 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.481 ' HB2' HD21 ' A' ' 79' ' ' LEU . 65.6 m-20 -65.56 -38.02 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 14' ' ' LEU . 5.7 mt -62.64 -47.29 84.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.722 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.46 79.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.01 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.888 HD11 HG13 ' A' ' 72' ' ' VAL . 14.6 tp -68.54 -47.62 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.721 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.778 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -60.88 -42.26 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.78 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -76.96 -26.81 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -53.91 -28.57 37.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.369 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 61' ' ' ARG . 32.3 m -57.35 -29.8 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.44 -30.7 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -96.93 21.1 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 54.59 45.94 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.91 0.386 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.659 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 25.3 mt-30 -97.27 37.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.489 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -58.54 -48.03 97.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.177 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.489 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 28.2 Cg_exo -61.73 -31.99 86.24 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.357 2.038 . . . . 0.0 112.178 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -26.05 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.888 HG13 HD11 ' A' ' 60' ' ' LEU . 42.9 t -53.22 -28.16 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.8 87.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -43.42 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 60' ' ' LEU . 3.8 mt -66.65 -33.75 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.87 -54.22 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.57 -34.7 74.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -73.12 -50.11 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 56' ' ' ASN . 13.2 mt -59.4 -44.11 92.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.95 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.32 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.48 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -66.9 -44.35 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -52.86 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.19 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.96 -46.42 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.4 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -56.72 -50.63 71.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.288 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.29 -36.42 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -59.09 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.602 -0.199 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -66.56 -37.87 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.674 ' CD1' HD11 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.35 -48.29 78.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.011 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -63.26 -51.94 64.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -34.22 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.705 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 1.6 mmm180 -69.99 -37.27 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.049 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -37.38 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.042 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -28.81 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.03 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.618 ' CB ' HD11 ' A' ' 50' ' ' LEU . 34.5 m -108.54 13.75 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.95 -62.24 6.02 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 85.0 Cg_endo -77.5 60.63 7.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.515 2.143 . . . . 0.0 112.346 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.59 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.2 m -118.47 -9.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.754 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.406 ' OG ' ' NE2' ' A' ' 47' ' ' GLN . 0.9 OUTLIER -58.13 -21.25 45.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.657 0.265 . . . . 0.0 111.389 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -51.77 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.8 26.29 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -67.18 122.8 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -149.26 125.51 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 45' ' ' THR . 10.2 mt -101.28 149.32 24.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -66.59 166.65 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -7.45 54.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 21.32 7.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -60.94 148.26 40.41 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -109.9 130.02 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -20.49 66.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.21 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -45.91 45.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.068 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.3 -30.54 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 4.1 m-85 -115.45 154.06 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.67 173.64 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -78.08 -23.23 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -94.12 19.19 9.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.52 99.43 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.6 p -121.52 0.75 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.423 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.623 ' N ' HD12 ' A' ' 30' ' ' LEU . 41.0 p -148.94 169.3 20.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.426 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -61.76 -32.67 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.01 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.619 ' SG ' HD11 ' A' ' 30' ' ' LEU . 1.5 m -64.35 -53.97 40.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.618 HD11 ' CB ' ' A' ' 21' ' ' CYS . 88.3 mt -61.71 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -64.26 -42.74 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.694 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.41 -43.33 96.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -60.94 -41.79 96.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.767 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.29 97.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.225 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.658 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.674 HD11 ' CD1' ' A' ' 14' ' ' LEU . 1.4 mt -63.01 -44.93 94.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.667 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.15 87.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.704 HD11 HG13 ' A' ' 72' ' ' VAL . 6.1 tp -62.06 -59.21 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.613 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.1 ptp85 -61.09 -29.03 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -76.93 -31.13 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.718 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.7 m -53.87 -26.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.02 -24.2 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -106.92 21.38 17.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 63.02 55.97 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.926 0.393 . . . . 0.0 111.157 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.718 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -115.83 37.32 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 6.5 mt -52.86 -57.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.478 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.7 Cg_endo -53.22 -25.78 31.4 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.372 2.048 . . . . 0.0 112.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -78.27 -29.94 48.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.704 HG13 HD11 ' A' ' 60' ' ' LEU . 24.8 t -59.1 -28.38 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.3 82.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -48.29 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.55 -33.81 75.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.32 -54.19 37.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -37.57 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -67.54 -43.13 81.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.87 -46.94 85.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.22 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.0 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -55.03 23.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -44.12 90.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.68 -30.39 71.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.645 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -67.33 -43.41 81.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 49' ' ' CYS . 35.9 mm -65.63 -46.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.11 82.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -70.83 -45.76 63.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.76 -48.34 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -42.64 86.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' HD12 ' A' ' 83' ' ' LEU . 3.0 mt -65.4 -36.84 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 m -68.52 -33.67 74.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -73.86 -33.39 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HG2' HD21 ' A' ' 50' ' ' LEU . 4.4 tmt_? -74.48 -32.66 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.023 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.08 -39.46 49.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -81.34 -40.91 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.95 13.82 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.4 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -53.53 -61.83 4.53 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.648 0.261 . . . . 0.0 111.226 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 72.4 Cg_endo -76.31 60.42 6.36 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.544 2.163 . . . . 0.0 112.214 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.0 -18.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.501 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.8 p -47.55 -28.27 2.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.747 0.308 . . . . 0.0 111.465 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.11 -51.74 68.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -119.8 26.21 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 122.77 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.25 128.72 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.563 HD12 ' C ' ' A' ' 44' ' ' THR . 26.3 mt -97.96 149.34 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -56.67 156.96 5.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.1 -1.42 52.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.571 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -96.25 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -65.26 146.45 54.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.75 121.42 38.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.659 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -63.57 -16.81 61.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.09 -31.12 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.387 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 4.6 pp -114.01 -17.71 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.606 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 1.1 m-85 -112.9 157.74 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.81 155.8 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -64.63 -34.84 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -76.54 -20.94 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.224 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 86.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.563 ' C ' HD12 ' A' ' 30' ' ' LEU . 29.6 p -112.13 -29.57 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.51 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 69.5 p -130.86 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -56.65 -41.69 77.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -70.92 -36.22 72.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.51 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -62.88 -47.7 82.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.0 p -73.17 -37.39 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 18' ' ' ARG . 14.3 tp -60.59 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -44.59 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.679 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.72 -36.71 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.43 -45.63 90.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -60.52 -42.23 99.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.267 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.8 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.8 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.31 -55.32 14.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.597 ' HA ' HD11 ' A' ' 79' ' ' LEU . 3.7 pp -61.35 -37.47 83.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.553 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.91 -45.67 81.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 72' ' ' VAL . 59.8 tp -68.08 -42.48 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.749 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.809 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -62.88 -44.56 95.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -76.89 -26.91 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.64 -31.69 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 61' ' ' ARG . 30.9 m -56.19 -30.13 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.297 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -26.87 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -95.37 21.38 8.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 59.07 59.47 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -114.36 35.84 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 7.3 mp -55.79 -61.76 5.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.216 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 11.5 Cg_endo -55.12 -23.05 34.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.529 2.153 . . . . 0.0 112.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -26.22 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.521 HG13 HD11 ' A' ' 60' ' ' LEU . 25.9 t -56.23 -26.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.334 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -48.89 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -58.61 -32.04 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.03 -49.77 47.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.02 -32.39 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.696 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -75.24 -46.86 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.765 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.597 HD11 ' HA ' ' A' ' 57' ' ' LEU . 12.5 mt -61.61 -48.1 82.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -64.64 -44.95 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.437 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.69 -50.43 73.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.39 -42.71 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -63.7 -40.89 97.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 mt -70.77 -39.7 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.93 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.88 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.27 -47.6 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.768 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.028 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.36 -41.79 76.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.979 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.749 ' HB2' HD11 ' A' ' 83' ' ' LEU . 3.9 tp -62.74 -50.28 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.23 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.288 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -61.63 -54.07 47.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.15 -29.95 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.674 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -68.0 -47.87 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.75 -38.95 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -35.9 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.586 ' HB3' HD11 ' A' ' 50' ' ' LEU . 28.1 t -106.93 13.84 27.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.395 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -61.2 -54.63 51.67 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.669 0.271 . . . . 0.0 111.243 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 84.3 Cg_endo -82.39 50.22 3.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.732 2.288 . . . . 0.0 112.838 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 24' ' ' VAL . 38.6 t -122.56 -5.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.686 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -58.4 -26.33 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.798 0.333 . . . . 0.0 111.223 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.75 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -123.16 26.24 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB1' ' H ' ' A' ' 47' ' ' GLN . . . -60.02 122.64 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -149.31 140.05 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -109.0 149.38 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.48 172.67 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.55 2.02 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.55 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.76 21.42 7.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -69.08 142.22 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.98 123.3 44.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -21.42 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -89.73 -26.31 20.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.288 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.2 -23.15 18.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.372 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 31.4 m-85 -112.94 157.61 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.048 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -81.53 174.77 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.796 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.7 p -72.72 -29.73 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.43 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.02 89.18 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -112.78 -28.17 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.428 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 68.8 p -130.66 173.35 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 28' ' ' ALA . 16.1 mt -61.94 -45.22 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.537 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 4.1 pt20 -67.09 -33.1 74.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.762 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.428 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -71.43 -33.27 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -46.57 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 21' ' ' CYS . 9.5 mt -63.2 -49.16 75.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.68 -36.89 79.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.62 -41.55 83.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.0 96.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.799 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.89 99.75 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.147 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.62 -41.62 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.615 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.68 -35.5 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.629 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.603 HD13 HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.44 -47.44 79.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.95 85.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.641 ' HG ' HG13 ' A' ' 72' ' ' VAL . 2.5 tt -65.03 -45.58 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -66.48 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.09 -30.92 55.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.729 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.631 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -65.55 -48.6 71.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 61' ' ' ARG . 19.5 m -52.83 -29.42 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.189 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.05 -30.22 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.3 21.37 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 60.3 40.49 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.631 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 10.8 mt-30 -98.65 37.47 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.735 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.8 mm? -46.04 -61.63 2.4 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.549 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.8 Cg_endo -51.15 -28.89 26.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -30.86 48.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.641 HG13 ' HG ' ' A' ' 60' ' ' LEU . 23.5 t -63.58 -33.61 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.51 94.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.492 ' CB ' HD12 ' A' ' 60' ' ' LEU . 4.6 mt -69.58 -36.49 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.39 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.54 -44.43 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.77 -41.58 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.9 84.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.57 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -55.47 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -60.19 -36.56 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.5 -47.15 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.642 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.75 -43.02 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.0 mt -66.02 -49.47 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -33.51 70.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -69.33 -45.86 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.38 -46.24 90.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HB3' HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -76.24 -43.78 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 14' ' ' LEU . 2.8 tt -61.03 -33.24 72.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.21 -51.9 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -63.17 -48.65 77.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD22 HG21 ' A' ' 86' ' ' ILE . 1.5 tt -60.06 -50.1 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -63.14 -35.51 80.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.31 -43.32 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -34.53 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -92.95 13.7 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -60.09 -54.5 54.65 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.4 Cg_endo -83.87 47.34 2.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.857 2.371 . . . . 0.0 112.687 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 24' ' ' VAL . 18.8 t -122.7 10.93 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.66 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 t -60.61 -31.37 70.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -72.19 -44.12 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -105.18 26.27 9.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -71.42 124.14 23.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.7 m -149.17 138.61 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 44' ' ' THR . 66.5 mt -107.68 149.26 28.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -61.04 172.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.54 -0.4 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.609 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.62 21.4 9.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.674 0.273 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -69.64 135.56 50.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -116.06 119.11 34.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -56.26 -23.27 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.289 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -69.24 -29.09 66.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.101 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 ' HB1' ' A' ' 81' ' ' ALA . 16.7 mt -107.47 -23.41 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.189 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CE2' ' HB1' ' A' ' 85' ' ' ALA . 1.8 m-85 -112.98 150.12 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 169.67 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 p -63.48 -24.77 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.34 19.55 9.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.247 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.21 75.9 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.654 ' C ' HD12 ' A' ' 30' ' ' LEU . 32.9 p -113.09 -28.35 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 p -125.73 168.05 14.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.8 mt -60.03 -55.08 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -61.67 -29.07 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.69 -53.6 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -62.27 -39.35 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 50' ' ' LEU . 6.1 mt -61.85 -46.91 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.58 -40.64 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.03 -39.61 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.22 93.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.0 -37.33 93.69 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.213 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -31.93 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.84 -56.31 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.3 pp -60.52 -38.84 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.656 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.463 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.09 -46.61 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.62 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.769 HD11 HG13 ' A' ' 72' ' ' VAL . 6.4 tp -66.71 -48.48 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.73 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -60.95 -43.41 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.18 -26.88 60.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.643 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -54.3 -26.8 31.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.341 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 61' ' ' ARG . 29.0 m -52.67 -28.62 13.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.22 -30.78 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.11 -4.33 58.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.386 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 63.82 49.5 2.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.643 ' CG ' ' HB1' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -117.32 37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.7 mm? -47.94 -50.15 55.16 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.408 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 74.5 Cg_exo -49.28 -26.5 11.53 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.404 2.07 . . . . 0.0 112.373 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.599 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -73.12 -24.24 60.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.769 HG13 HD11 ' A' ' 60' ' ' LEU . 36.3 t -54.72 -30.57 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.205 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.1 61.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -64.23 -35.02 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.718 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.27 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.51 -43.4 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -62.78 -37.25 85.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.679 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.82 -46.41 90.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.679 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.81 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.682 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -59.63 -35.15 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.92 -41.25 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.714 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 13' ' ' GLN . 0.4 OUTLIER -59.78 -49.17 78.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.36 -36.87 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.624 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -60.24 -44.41 95.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.473 HG21 HD22 ' A' ' 17' ' ' LEU . 34.8 mt -65.46 -38.85 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.84 -31.34 70.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -47.01 67.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.72 75.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.28 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.667 ' HB2' HD11 ' A' ' 83' ' ' LEU . 6.2 tt -67.46 -38.06 83.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.76 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -65.54 -37.74 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.432 HD21 HG22 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -73.74 -39.72 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.698 ' HA ' HD21 ' A' ' 50' ' ' LEU . 5.1 ttt-85 -65.01 -33.92 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.39 -34.28 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -36.64 57.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.841 ' O ' HG22 ' A' ' 24' ' ' VAL . 7.7 m -101.23 13.8 33.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.52 -55.15 15.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.699 0.285 . . . . 0.0 111.447 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 72.0 Cg_endo -86.7 39.11 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.856 2.371 . . . . 0.0 113.315 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 21' ' ' CYS . 23.6 m -122.65 18.68 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 p -69.81 -29.3 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -70.07 -37.16 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -119.34 26.24 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -71.24 124.15 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.498 ' HA ' HG22 ' A' ' 45' ' ' THR . 4.4 t -147.67 128.96 14.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 30' ' ' LEU . 5.4 mt -94.48 149.33 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -68.86 175.82 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.68 2.07 52.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.559 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.01 21.37 6.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.689 0.281 . . . . 0.0 111.225 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -68.37 138.24 55.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.08 130.14 56.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -22.95 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.8 42.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.164 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.64 -24.08 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.366 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -112.99 164.95 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 174.7 6.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -66.66 -25.77 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.52 7.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.99 84.42 2.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 45' ' ' THR . 23.3 p -129.48 13.77 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.252 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -164.27 169.53 17.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 111.034 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.24 -55.04 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB2' ' OG1' ' A' ' 45' ' ' THR . . . -62.45 -48.47 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.776 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -65.06 -34.25 77.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 179.738 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 18' ' ' ARG . 1.7 tp -64.27 -45.74 86.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -64.24 -40.26 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.07 -40.91 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.611 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -65.67 -42.28 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.29 -37.86 94.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.202 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.09 -33.27 59.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.522 ' HB3' HD11 ' A' ' 79' ' ' LEU . 22.5 m-20 -67.85 -49.52 61.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.658 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.8 pp -67.72 -36.54 80.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -50.91 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.828 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.004 HD11 HG13 ' A' ' 72' ' ' VAL . 5.2 tp -66.98 -45.94 76.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.712 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.769 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.44 -42.14 95.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.644 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -76.83 -26.83 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.77 -29.14 53.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.382 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.7 m -56.11 -28.86 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.253 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -30.51 63.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 15.71 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 54.27 49.18 19.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.863 0.364 . . . . 0.0 111.124 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.898 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 10.6 mt-30 -98.3 37.38 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.9 mm? -53.11 -59.48 9.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.479 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 10.7 Cg_endo -54.12 -24.42 33.1 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.481 2.121 . . . . 0.0 112.373 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.01 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.004 HG13 HD11 ' A' ' 60' ' ' LEU . 25.9 t -60.76 -29.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.186 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.08 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.277 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -49.35 65.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.4 -30.31 68.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.4 -54.22 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -32.42 72.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -69.07 -47.17 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 56' ' ' ASN . 3.4 mt -65.83 -46.46 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.005 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.85 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.52 -56.58 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -61.06 -45.59 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 14' ' ' LEU . 1.9 tt -57.27 -44.19 83.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.057 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -46.47 89.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.466 HD11 ' SG ' ' A' ' 49' ' ' CYS . 13.4 mt -63.41 -46.34 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.31 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.202 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -49.01 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -39.22 76.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.43 -30.42 69.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.74 -52.25 18.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -36.16 80.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -42.55 76.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 1.4 ttt180 -68.65 -25.88 65.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.66 -42.85 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -81.24 -42.12 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG13 ' A' ' 24' ' ' VAL . 75.4 m -91.39 13.86 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.503 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -57.55 -61.66 6.82 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 98.4 Cg_endo -78.7 62.7 8.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 21' ' ' CYS . 35.2 m -113.73 -21.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -51.77 -26.04 8.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.71 0.29 . . . . 0.0 111.305 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.97 -51.76 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -116.12 26.23 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 123.86 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.5 t -147.11 126.88 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 44' ' ' THR . 10.5 mt -101.73 149.27 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.14 176.44 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.47 2.02 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.66 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -84.96 5.11 30.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -59.2 136.91 58.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.54 129.98 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.786 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -67.2 -13.67 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.388 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -70.98 -39.06 72.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 111.257 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -19.46 12.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.349 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -117.36 158.38 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -96.53 163.98 12.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.2 t -63.95 -23.18 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -20.96 62.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.33 93.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.452 ' C ' HD12 ' A' ' 30' ' ' LEU . 28.7 p -106.6 -31.69 8.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 p -150.45 179.27 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.51 -39.99 77.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.742 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.37 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.1 m -62.11 -48.08 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.535 HD22 ' HG3' ' A' ' 18' ' ' ARG . 9.2 mt -64.34 -48.81 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.725 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -60.89 -36.65 79.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.25 -44.12 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.71 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.63 97.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -62.57 -39.67 98.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.248 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.82 -31.8 57.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.686 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.06 -48.82 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.2 pp -66.16 -41.18 90.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.789 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -61.77 -48.8 79.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.05 67.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' CD1' HG13 ' A' ' 72' ' ' VAL . 2.5 tp -64.57 -49.73 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.797 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -68.43 -33.84 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -76.75 -26.86 55.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.853 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -53.43 -29.51 35.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.476 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.8 m -59.13 -34.65 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.01 -24.94 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -95.14 21.39 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 56.82 38.54 29.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.904 0.383 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.853 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 75.3 mm-40 -109.08 37.38 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 71.0 mt -54.8 -56.32 28.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.404 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 20.2 Cg_endo -60.73 -26.45 83.01 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.342 2.028 . . . . 0.0 112.284 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' ' 75' ' ' LEU . 5.4 mp0 -73.62 -28.13 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 68' ' ' GLN . 21.8 t -57.0 -29.1 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.61 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -51.44 56.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 71' ' ' GLN . 1.7 mp -59.78 -33.58 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.54 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.99 -35.7 75.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -34.83 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.61 -45.1 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.58 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.92 -32.52 73.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.62 -49.53 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.41 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.85 -47.2 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mt -64.64 -41.65 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.14 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -61.28 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.32 -49.93 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -40.54 95.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HB2' HD11 ' A' ' 83' ' ' LEU . 51.3 tp -66.49 -46.59 75.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.2 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.3 m -67.94 -40.16 83.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.6 tp -68.44 -37.23 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.69 -30.34 62.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.47 -34.78 41.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.33 -40.29 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.47 ' O ' HD22 ' A' ' 50' ' ' LEU . 70.9 m -91.94 13.73 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.401 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.83 -60.45 7.23 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.677 0.275 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 86.1 Cg_endo -80.08 53.73 4.88 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.65 2.233 . . . . 0.0 112.585 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 24' ' ' VAL . 21.3 t -122.68 5.36 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.71 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -29.25 70.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.795 0.331 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -73.59 -30.59 63.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.73 26.4 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -78.01 122.77 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.29 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.659 ' H ' HD12 ' A' ' 46' ' ' LEU . 56.0 m -149.34 125.56 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 30' ' ' LEU . 7.2 mt -98.1 148.63 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 t -78.26 176.56 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.37 2.0 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.26 21.34 7.07 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -63.96 143.07 58.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.54 127.93 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -27.05 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.97 -28.27 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.3 mt -90.89 -30.83 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 25.3 m-85 -113.1 164.92 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.008 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.4 174.75 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 p -66.44 -28.17 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.34 21.4 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.281 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.694 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . . . -110.58 96.35 6.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.044 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -128.26 3.72 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.524 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.434 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 48.7 p -156.79 176.41 12.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.08 -54.42 47.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -32.34 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 43' ' ' ALA . . . -63.51 -42.47 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.4 m -67.16 -37.78 84.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 21' ' ' CYS . 2.1 tp -63.12 -48.97 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -32.58 74.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.617 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.43 87.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.02 99.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.4 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -62.95 -39.14 97.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.334 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -32.03 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.637 ' OD1' HD23 ' A' ' 75' ' ' LEU . 3.5 m-80 -69.46 -47.41 64.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.782 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.1 pp -68.51 -39.25 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.776 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.521 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -60.9 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.2 -29.48 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.773 ' HG ' HG13 ' A' ' 72' ' ' VAL . 6.8 tt -67.83 -46.09 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.778 ' O ' HG22 ' A' ' 64' ' ' VAL . 3.5 ttt180 -67.76 -35.89 79.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.723 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.12 -30.5 55.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.77 ' HB1' ' HB3' ' A' ' 68' ' ' GLN . . . -58.6 -44.25 89.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.296 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.0 m -56.35 -28.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.207 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.502 ' OE1' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -75.03 -31.0 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.98 21.34 10.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 59.34 40.8 20.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.77 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -98.26 37.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.995 0.426 . . . . 0.0 110.713 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 5.0 mt -46.75 -54.1 21.61 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.663 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 17.6 Cg_endo -58.07 -28.01 81.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.96 . . . . 0.0 112.237 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.426 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -78.23 -31.57 49.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.773 HG13 ' HG ' ' A' ' 60' ' ' LEU . 33.0 t -60.93 -34.6 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.79 88.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -69.21 -48.6 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.637 HD23 ' OD1' ' A' ' 56' ' ' ASN . 1.3 mt -64.53 -30.52 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.21 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.22 -30.01 70.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.68 -43.2 85.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.85 92.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.78 72.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -69.46 -48.87 59.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -60.2 -43.02 96.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 83' ' ' LEU . 11.9 mt -62.77 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.44 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -54.23 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -35.09 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.088 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -70.37 -44.26 68.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -58.08 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.39 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -63.55 -37.2 86.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.75 -38.48 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.771 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -72.61 -26.02 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.27 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.112 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -81.36 -37.75 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -91.73 13.78 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.501 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.844 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -63.07 -61.82 6.72 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.844 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 78.9 Cg_endo -77.39 63.68 7.87 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.175 . . . . 0.0 112.383 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 29.9 m -120.94 -5.55 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -58.0 -25.32 60.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -62.86 -51.71 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.08 26.29 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -73.7 122.61 22.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.3 131.93 15.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 30' ' ' LEU . 13.2 mt -108.97 143.13 38.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.8 p -61.64 156.6 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.92 2.03 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.653 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 21.46 8.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 111.211 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -63.36 154.91 30.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.071 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' HB3' HD12 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -121.63 112.22 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.4 -25.55 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.351 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.71 -25.57 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.167 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 35' ' ' ASP . 4.2 mt -109.05 -24.61 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.263 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -114.3 164.93 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.95 174.73 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -68.31 -30.57 69.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -20.85 57.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 88.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -116.05 -33.25 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.431 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 44.4 p -143.13 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' ALA . 37.3 mt -58.33 -49.29 77.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -36.93 76.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -66.13 -36.25 82.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -66.34 -42.56 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.47 -49.33 77.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.74 -31.57 72.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -55.82 18.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.704 ' HB3' HH21 ' A' ' 18' ' ' ARG . . . -59.63 -38.6 81.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.26 -39.57 97.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -35.43 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.767 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -68.48 -45.01 73.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.36 -31.53 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' ' 75' ' ' LEU . 8.3 tt -68.13 -50.71 52.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.829 ' O ' HG22 ' A' ' 64' ' ' VAL . 9.0 ttt180 -64.55 -35.04 79.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.01 -28.67 55.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.9 80.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.435 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.8 m -54.91 -29.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.318 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.65 -29.43 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.17 21.41 8.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 60.86 40.65 15.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -108.53 37.35 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 30.7 mt -52.67 -44.33 95.07 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.434 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.3 Cg_exo -57.36 -35.54 98.87 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.289 1.993 . . . . 0.0 112.236 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.46 -29.72 69.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.28 -29.25 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.92 -51.75 66.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -48.31 68.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.723 ' HB2' HD12 ' A' ' 60' ' ' LEU . 5.5 mt -60.33 -37.87 81.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.72 -53.04 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.77 -43.86 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.99 -48.73 79.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.16 77.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -69.83 -52.31 26.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -60.45 -43.72 96.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.83 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.27 92.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.7 mt -62.75 -38.79 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.74 79.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -69.28 -52.6 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -43.63 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.86 -53.54 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -36.19 74.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.95 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -34.28 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.875 HD22 HD23 ' A' ' 83' ' ' LEU . 5.0 tp -71.55 -29.91 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.683 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.24 -48.66 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.029 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -29.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -81.31 -35.63 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.159 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.815 ' O ' HG22 ' A' ' 24' ' ' VAL . 73.4 m -105.73 13.9 29.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.494 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.44 -58.22 9.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.584 0.231 . . . . 0.0 111.415 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 70.7 Cg_endo -86.32 41.76 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.779 2.319 . . . . 0.0 113.149 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 21' ' ' CYS . 22.9 m -122.73 6.6 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.09 -31.06 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -120.74 26.26 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.043 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -79.28 127.49 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.5 m -148.26 125.53 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 45' ' ' THR . 10.7 mt -105.13 149.32 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 158.17 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.87 -2.17 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.601 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -96.24 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.726 0.298 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -62.67 143.66 57.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 128.44 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -63.12 -18.35 63.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.353 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.56 -32.34 71.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.735 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 3.2 pp -109.93 -23.09 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -112.97 164.82 12.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -78.46 152.56 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 m -57.29 -30.77 64.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -102.31 21.49 14.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.217 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 49' ' ' CYS . . . -97.39 96.08 8.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.7 -7.57 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.498 ' N ' HD12 ' A' ' 30' ' ' LEU . 28.8 p -142.07 168.6 19.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.992 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 28' ' ' ALA . 20.8 mt -59.91 -49.27 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -35.98 81.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.09 -53.71 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 86' ' ' ILE . 27.5 p -66.89 -37.18 83.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 18' ' ' ARG . 24.7 tp -62.28 -47.1 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.12 -47.68 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.636 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.39 -36.86 85.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.5 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.62 -29.81 72.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.335 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.21 -58.09 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.793 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.615 ' OD1' HD21 ' A' ' 79' ' ' LEU . 10.2 p30 -65.44 -32.25 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.745 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -51.1 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.54 71.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 75' ' ' LEU . 64.3 tp -65.27 -54.34 30.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.751 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.729 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -59.08 -36.8 75.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -76.86 -26.89 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.786 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.86 -26.87 38.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.317 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 61' ' ' ARG . 27.8 m -53.25 -30.13 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.253 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.05 -29.89 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.81 18.05 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 53.62 57.27 6.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.786 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 15.2 mt-30 -110.3 36.37 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 4.3 mt -58.25 -44.06 98.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.407 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.7 Cg_exo -60.71 -29.12 87.71 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 0.0 112.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -26.2 47.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' A' ' 76' ' ' ALA . 40.2 t -56.94 -30.3 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.01 -53.03 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -48.34 75.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 60' ' ' LEU . 6.4 mt -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 72' ' ' VAL . . . -63.44 -53.21 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -40.38 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.19 -51.07 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.615 HD21 ' OD1' ' A' ' 56' ' ' ASN . 6.4 mt -58.93 -46.95 86.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.36 78.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -67.97 -36.34 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.86 -56.3 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.875 HD23 HD22 ' A' ' 17' ' ' LEU . 3.9 mt -57.38 -39.23 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -40.45 96.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.48 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 17' ' ' LEU . 27.8 mm -64.08 -48.91 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.86 89.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -60.71 -42.56 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.04 -48.44 78.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.768 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.714 -0.154 . . . . 0.0 112.714 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -70.52 -47.0 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 111.035 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.998 HD11 ' HB1' ' A' ' 53' ' ' ALA . 7.0 tt -57.28 -44.45 84.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.18 -52.18 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.301 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -60.98 -38.57 86.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -38.05 64.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.209 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.735 ' HG2' HD13 ' A' ' 50' ' ' LEU . 3.1 tmt_? -69.62 -37.3 76.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.18 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.19 -28.42 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.2 -45.42 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.05 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.35 13.79 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.277 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.654 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -56.24 -50.65 86.3 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.483 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 98.3 Cg_endo -85.09 26.68 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.775 2.317 . . . . 0.0 113.127 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 24' ' ' VAL . 17.2 t -108.37 22.87 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 111.204 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 1.4 m -73.09 -30.76 63.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.952 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.34 -35.1 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -112.86 26.21 10.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -76.1 122.75 24.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 m -149.25 126.67 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 45' ' ' THR . 6.6 mt -102.3 143.41 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 172.68 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.42 1.99 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.572 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -95.85 21.41 8.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.734 0.302 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 28.9 p90 -62.4 135.44 57.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.99 130.04 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -63.69 -23.2 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.86 -35.41 32.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD22 ' HB1' ' A' ' 81' ' ' ALA . 73.5 mt -86.68 -30.14 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -123.09 164.87 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.29 173.08 8.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 t -67.96 -22.3 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -95.02 21.47 7.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.193 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.05 90.69 3.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.843 0.354 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -129.37 13.84 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.64 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -158.18 165.18 35.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 28' ' ' ALA . 49.6 mt -59.66 -53.85 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.521 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -62.58 -31.27 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.717 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -33.11 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -54.54 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.735 HD13 ' HG2' ' A' ' 18' ' ' ARG . 3.8 pp -60.86 -43.1 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.733 ' N ' HD12 ' A' ' 50' ' ' LEU . 7.1 t0 -63.32 -45.25 92.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.66 -39.76 85.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.657 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.998 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -61.76 -44.2 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.805 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.567 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.12 -39.07 96.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.133 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -31.68 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.652 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.84 -52.84 25.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.693 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.5 pp -62.32 -35.61 79.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.522 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.28 -47.34 84.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.94 72.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 75' ' ' LEU . 8.3 tt -67.16 -41.13 86.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.796 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -67.72 -40.6 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.728 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.87 -26.88 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -55.18 -29.32 57.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.796 HG22 ' O ' ' A' ' 61' ' ' ARG . 34.6 m -58.26 -30.68 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -28.85 63.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -96.26 21.29 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 54.4 37.9 28.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.564 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 16.1 mt-30 -97.6 37.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.7 mt -55.62 -44.67 99.77 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.8 Cg_exo -58.49 -29.9 90.08 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.325 2.016 . . . . 0.0 112.239 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -29.76 53.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.517 HG13 ' CG ' ' A' ' 60' ' ' LEU . 28.4 t -57.9 -30.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.83 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -50.72 42.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.779 ' HB2' HD12 ' A' ' 60' ' ' LEU . 5.3 mt -59.88 -40.23 88.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.96 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.8 -35.61 76.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -68.32 -43.16 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.04 -47.18 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -67.09 -32.63 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.569 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -65.92 -50.11 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.672 HD21 ' CB ' ' A' ' 14' ' ' LEU . 11.2 mt -65.51 -47.08 77.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -37.16 76.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.2 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.455 HD11 ' OE1' ' A' ' 82' ' ' GLN . 8.4 mt -68.86 -48.87 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.16 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.95 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -64.78 -49.68 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 16' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.653 -0.179 . . . . 0.0 112.653 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 83' ' ' LEU . 17.6 mm-40 -76.28 -50.67 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.06 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.905 HD11 ' HB1' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -57.99 -33.93 69.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.34 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 17' ' ' LEU . 11.4 t -64.21 -47.56 79.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.263 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' HG23 ' A' ' 16' ' ' THR . 4.8 tp -61.36 -46.63 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.762 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 2.0 ttp180 -65.91 -26.55 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -59.78 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.31 -33.84 63.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.621 ' O ' HG22 ' A' ' 24' ' ' VAL . 1.8 t -91.81 13.86 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.557 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.843 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.31 -61.78 4.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-O 120.63 0.253 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.4 Cg_endo -78.53 59.77 7.31 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.561 2.174 . . . . 0.0 112.541 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.648 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 34.8 m -122.55 18.65 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.467 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 m -64.34 -26.21 68.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -78.27 -35.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.159 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.19 26.2 10.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -82.76 123.93 29.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.212 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 m -149.29 135.74 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 44' ' ' THR . 8.8 mt -104.4 149.33 25.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 t -62.79 175.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.19 -2.36 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.555 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.94 21.35 8.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -62.13 126.65 28.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.04 130.04 53.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -67.06 -25.91 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -37.27 40.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.9 -31.09 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.014 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HZ ' ' HB1' ' A' ' 85' ' ' ALA . 27.3 m-85 -114.4 150.49 34.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.33 168.74 19.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.5 p -59.56 -39.26 83.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -75.04 -20.93 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 83.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.569 ' C ' HD12 ' A' ' 30' ' ' LEU . 73.4 p -111.67 -26.77 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.03 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -133.9 -179.7 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 28' ' ' ALA . 45.0 mt -59.23 -49.92 76.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.045 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -57.35 -31.83 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.914 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.36 -39.72 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -45.86 89.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.739 HD13 ' HA ' ' A' ' 18' ' ' ARG . 15.5 mt -64.67 -48.48 74.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.86 -39.81 82.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -42.45 99.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.905 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -60.18 -43.75 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.33 -41.95 99.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.337 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -69.71 -31.24 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.88 -51.08 24.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.1 pp -66.24 -44.9 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.73 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -61.74 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -61.32 -28.84 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.805 HD11 HG13 ' A' ' 72' ' ' VAL . 3.6 tp -69.4 -43.86 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.804 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -63.05 -45.08 93.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -76.9 -26.8 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 59' ' ' ALA . . . -56.07 -31.61 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.483 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.8 m -56.42 -30.1 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.302 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.65 -25.25 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -100.41 21.33 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 54.46 51.84 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.543 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -97.16 37.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 1.5 mt -52.8 -52.39 65.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.498 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 35.2 Cg_endo -64.73 -24.45 61.99 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.378 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -26.98 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.805 HG13 HD11 ' A' ' 60' ' ' LEU . 23.0 t -55.73 -31.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.61 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -49.91 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.593 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -59.4 -31.56 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.5 -53.46 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.51 -35.89 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -64.99 -42.07 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 57' ' ' LEU . 15.1 mt -67.65 -46.75 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.28 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.18 98.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -55.8 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.0 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -53.66 -48.54 69.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -47.85 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB1' ' HZ ' ' A' ' 39' ' ' PHE . . . -57.99 -43.02 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.9 -48.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.47 66.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -52.5 13.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.19 -46.99 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.652 -0.179 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.03 -42.23 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' A' ' 83' ' ' LEU . 32.2 tp -61.71 -41.97 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -52.22 62.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.228 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.7 m -65.13 -42.88 93.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.69 -43.08 85.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.821 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 41.5 ttt180 -68.2 -26.04 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.63 -57.76 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -41.22 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.471 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -89.04 13.89 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.62 -179.633 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 18' ' ' ARG . . . -61.49 -60.95 8.87 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 111.253 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 66.7 Cg_endo -73.78 62.84 4.79 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.605 2.203 . . . . 0.0 112.481 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 21' ' ' CYS . 30.4 m -121.96 15.36 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.4 p -62.25 -41.68 98.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -32.79 70.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.81 26.22 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB1' ' HB ' ' A' ' 45' ' ' THR . . . -76.67 125.23 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.292 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -149.33 133.28 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 44' ' ' THR . 9.4 mt -108.13 149.1 28.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 169.84 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -6.22 56.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.641 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -95.28 21.39 8.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.69 0.281 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -59.88 142.61 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.55 130.06 56.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.675 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -68.86 -23.4 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -74.53 -33.51 62.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.213 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.449 HD22 ' HB1' ' A' ' 81' ' ' ALA . 73.4 mt -97.43 -29.95 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.203 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.447 ' CZ ' ' CB ' ' A' ' 85' ' ' ALA . 10.3 m-85 -113.49 165.03 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.41 164.92 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -63.08 -30.75 71.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -20.8 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.541 ' HB2' ' OE2' ' A' ' 52' ' ' GLU . . . -55.45 89.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.581 ' C ' HD12 ' A' ' 30' ' ' LEU . 50.6 p -113.74 -30.23 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 31.3 p -144.33 -179.64 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.19 -55.4 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.735 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -57.45 -44.44 84.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.7 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -68.34 -39.82 81.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.67 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -72.46 -34.08 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.02 -49.78 41.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.669 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.541 ' OE2' ' HB2' ' A' ' 43' ' ' ALA . 12.5 pt-20 -61.23 -47.04 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.636 ' HB2' ' NE2' ' A' ' 82' ' ' GLN . . . -60.15 -44.07 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.46 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -63.34 -30.32 77.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.205 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -34.68 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.634 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -66.2 -49.42 67.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.5 pp -65.71 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.79 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.872 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -70.02 -29.06 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 75' ' ' LEU . 6.6 tt -68.7 -37.14 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.779 ' O ' HG22 ' A' ' 64' ' ' VAL . 10.6 ttt85 -74.49 -40.72 61.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -76.92 -26.81 54.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 68' ' ' GLN . . . -54.26 -29.21 46.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.8 m -57.73 -31.08 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.157 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.98 -28.42 60.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.64 21.23 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.247 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 54.08 59.49 4.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 111.029 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.456 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -125.67 32.44 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 8.4 mp -55.29 -50.66 85.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 50.7 Cg_exo -53.13 -30.8 51.87 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.381 2.054 . . . . 0.0 112.234 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -23.8 51.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.49 -32.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.15 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -65.34 -52.01 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.446 ' CB ' HD12 ' A' ' 60' ' ' LEU . 1.1 mt -59.61 -36.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -48.18 82.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.74 -42.63 93.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -61.71 -38.26 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.607 HD11 ' HA ' ' A' ' 57' ' ' LEU . 14.1 mt -63.17 -44.78 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.01 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -62.37 -38.79 90.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.636 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -61.81 -45.99 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.7 -43.1 94.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -59.1 -42.19 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.55 -42.49 95.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.2 mt -66.6 -49.29 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.56 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -66.18 -48.92 69.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -66.55 -41.44 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.248 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.03 -39.01 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -40.14 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -52.25 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -70.29 -41.04 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 86' ' ' ILE . 4.5 tp -62.73 -60.05 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -59.67 -30.44 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -55.92 23.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.604 HH12 HD12 ' A' ' 17' ' ' LEU . 2.9 ptt85 -75.63 -29.93 59.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.6 m -93.84 13.74 21.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.32 -56.59 12.46 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.746 0.308 . . . . 0.0 111.035 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 93.5 Cg_endo -83.75 48.43 2.59 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.792 2.328 . . . . 0.0 112.614 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 24' ' ' VAL . 21.2 t -122.6 5.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 p -62.04 -35.36 78.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.29 -34.72 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -115.58 26.17 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -85.61 126.86 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.437 ' HA ' HG22 ' A' ' 45' ' ' THR . 2.6 m -148.65 135.8 20.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.49 146.52 24.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.83 176.2 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.77 -2.2 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -96.19 21.35 9.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -61.53 137.73 58.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -115.6 130.02 56.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -26.74 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -30.8 53.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.77 HD22 ' HB1' ' A' ' 81' ' ' ALA . 34.8 mt -91.67 -32.37 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.8 152.4 32.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' OE1' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -79.35 164.15 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.472 HG22 ' OE1' ' A' ' 40' ' ' GLN . 10.3 t -63.26 -23.67 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -95.17 21.48 7.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.209 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . . . -117.34 103.96 10.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 45' ' ' THR . 0.9 OUTLIER -129.28 13.81 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' THR . 2.0 p -163.5 171.81 15.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.35 -50.62 73.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.427 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.793 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.54 ' HB1' ' HA ' ' A' ' 43' ' ' ALA . . . -65.58 -36.35 83.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.58 -43.5 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 47' ' ' GLN . 17.5 mt -61.35 -48.34 81.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.72 -42.85 99.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.61 -41.71 98.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.25 93.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.19 -36.76 93.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.427 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.46 -31.63 62.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -65.78 -52.8 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.9 pp -65.96 -38.39 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -63.73 -51.19 66.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.69 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.903 HD11 HG22 ' A' ' 72' ' ' VAL . 29.9 tp -73.58 -41.44 62.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.767 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -58.84 -44.2 90.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -76.91 -27.76 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.96 64.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.458 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.4 m -55.54 -30.25 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.259 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.38 21.3 11.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 57.39 56.83 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.32 37.32 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.3 mt -60.62 -45.12 97.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.29 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.7 Cg_exo -58.8 -28.42 86.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.296 1.997 . . . . 0.0 112.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -23.85 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.903 HG22 HD11 ' A' ' 60' ' ' LEU . 48.5 t -57.75 -29.02 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.154 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.256 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -51.94 25.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -57.93 -41.77 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.27 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.17 87.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.97 -44.59 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.04 -39.53 92.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.46 -51.99 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -58.26 -34.5 70.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -65.31 -55.63 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -62.83 -31.39 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.16 -41.6 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.92 -37.6 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.703 HG21 HD21 ' A' ' 17' ' ' LEU . 12.1 mt -69.12 -41.76 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.41 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.31 -50.55 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.31 -52.16 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -69.35 -48.74 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 14' ' ' LEU . 2.0 tm? -57.53 -39.88 77.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.14 -52.23 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 m -65.11 -33.87 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.59 -43.33 59.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.712 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.18 -30.22 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.45 -36.51 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.2 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.3 -32.17 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.193 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.581 ' O ' HG22 ' A' ' 24' ' ' VAL . 49.5 m -101.24 13.81 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.48 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -55.49 -60.0 9.67 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.647 0.261 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 87.6 Cg_endo -81.36 63.66 8.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.724 2.282 . . . . 0.0 112.448 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.724 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 34.1 m -121.34 19.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.519 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -63.87 -26.95 68.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -79.21 -48.87 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.49 26.17 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -82.61 122.67 28.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.127 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -149.4 125.59 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 45' ' ' THR . 7.4 mt -106.63 143.52 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -71.26 157.63 37.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.96 -2.95 57.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.595 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -95.99 21.39 8.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -64.98 154.88 36.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' HD12 ' A' ' 38' ' ' LEU . 8.3 m-20 -103.47 130.1 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -69.07 -24.62 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -88.63 -27.13 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.285 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD22 ' HB1' ' A' ' 81' ' ' ALA . 13.9 mt -93.13 -27.0 17.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.232 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -112.99 164.92 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -84.91 174.06 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.44 HG23 ' HG2' ' A' ' 42' ' ' ARG . 10.3 t -78.24 -21.92 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.557 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 8.0 mmt180 -94.8 21.44 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.08 93.54 7.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.2 p -109.43 -31.17 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.481 ' N ' HD12 ' A' ' 30' ' ' LEU . 16.6 p -146.11 178.67 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 28' ' ' ALA . 65.1 mt -57.24 -41.05 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.51 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -64.52 -30.71 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 42' ' ' ARG . . . -77.77 -40.48 40.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -42.86 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' A' ' 18' ' ' ARG . 9.9 tp -66.31 -47.2 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.649 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.84 -39.56 94.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.22 -42.14 96.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -60.21 -43.79 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.83 99.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.3 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -32.45 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.717 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -64.59 -53.44 47.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.4 pp -64.8 -36.46 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.72 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.33 -47.36 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -34.82 78.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 75' ' ' LEU . 32.7 tp -64.42 -44.97 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.755 ' O ' HG22 ' A' ' 64' ' ' VAL . 8.7 mtp180 -62.7 -40.33 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.85 -26.87 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.51 -29.01 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.369 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 61' ' ' ARG . 31.1 m -54.76 -26.47 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -63.0 -28.74 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.72 14.6 28.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.23 59.76 2.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.749 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.4 mp0 -95.35 37.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.916 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -49.47 -52.15 52.28 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.722 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 33.1 Cg_endo -64.46 -41.83 18.91 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.173 1.915 . . . . 0.0 112.393 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.26 -26.88 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 68' ' ' GLN . 24.4 t -57.08 -29.25 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.183 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -53.11 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -66.99 -46.87 73.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 60' ' ' LEU . 4.3 mt -59.87 -39.38 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.45 -38.15 83.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -45.12 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -38.68 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.39 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -60.05 -42.43 94.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' A' ' 53' ' ' ALA . 9.2 tt0 -65.51 -48.93 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.546 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -59.82 -35.21 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.47 -46.75 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mt -63.76 -46.37 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.61 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -69.31 -46.41 67.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -45.8 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.66 -40.33 92.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.643 HD23 ' HG ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -64.22 -46.48 83.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.7 90.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.0 m -71.24 -50.02 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.02 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -34.9 79.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.674 ' HA ' HD11 ' A' ' 50' ' ' LEU . 17.6 ttt180 -67.37 -43.99 80.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -37.27 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -39.0 61.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.18 13.63 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.92 -55.74 35.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 97.0 Cg_endo -84.32 44.89 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.811 2.34 . . . . 0.0 112.773 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.648 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 15.0 t -122.67 22.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.314 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -31.4 68.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -71.06 -30.7 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -119.49 26.17 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -83.18 124.57 30.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -149.24 131.73 15.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 30' ' ' LEU . 12.9 mt -108.66 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 161.81 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.21 1.86 42.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.553 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -98.82 21.34 11.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.664 0.269 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -60.03 145.88 44.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -116.34 128.68 55.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -20.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -35.57 57.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.21 -29.91 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.08 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -117.75 164.93 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 174.55 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t -65.9 -27.13 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.563 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 27.5 mtt85 -88.95 9.49 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.37 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.74 88.32 4.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.801 0.334 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.04 -31.84 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.543 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 26.5 p -137.31 -179.71 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 28' ' ' ALA . 27.6 mt -58.58 -53.4 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -30.46 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' A' ' 42' ' ' ARG . . . -70.6 -53.7 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -65.14 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 18' ' ' ARG . 18.7 tp -64.65 -46.85 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.662 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.767 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.99 -42.81 99.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.66 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.9 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.02 97.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.339 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -41.5 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.787 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -66.31 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -50.62 67.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.74 87.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -64.1 -34.25 77.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.672 HD11 HG13 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -69.25 -40.09 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.793 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.717 ' O ' HG22 ' A' ' 64' ' ' VAL . 13.5 ttm180 -62.03 -48.11 81.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -76.86 -26.89 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 59' ' ' ALA . . . -54.72 -26.87 36.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.319 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.0 m -53.39 -30.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.289 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.66 -29.03 61.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -76.35 -5.82 48.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.426 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 61.34 38.18 16.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CD ' ' HB1' ' A' ' 63' ' ' ALA . 4.1 pt20 -100.95 37.51 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.6 mm? -44.88 -50.49 25.42 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.463 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 52.0 Cg_exo -52.42 -34.83 63.01 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.38 2.054 . . . . 0.0 112.223 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.464 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.7 mp0 -78.24 -26.61 47.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.995 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.672 HG13 HD11 ' A' ' 60' ' ' LEU . 52.4 t -55.63 -32.11 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.93 98.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -67.78 -46.3 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 71' ' ' GLN . 4.5 mp -60.82 -41.46 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.767 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.67 96.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -42.26 97.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -41.4 87.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.714 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.22 -44.93 82.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.51 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.79 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -49.63 74.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.643 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -59.89 -43.88 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.14 -37.62 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.91 97.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.8 mt -64.98 -43.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.28 91.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.3 78.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.89 -48.58 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.62 -49.83 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -61.03 -35.06 75.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.36 -44.58 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.551 HG22 ' HD2' ' A' ' 20' ' ' ARG . 2.8 m -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -36.74 74.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -31.07 58.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -45.12 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HD2' HG22 ' A' ' 16' ' ' THR . 14.9 mtt85 -74.06 -35.28 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.3 t -92.77 13.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -61.01 -56.97 29.73 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 93.2 Cg_endo -83.18 47.73 2.49 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.739 2.292 . . . . 0.0 112.739 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.3 t -122.62 10.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.551 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -61.28 -45.55 94.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.072 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.75 -42.26 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -100.79 26.24 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.692 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -89.97 124.5 34.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -149.13 136.04 19.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.717 HD11 ' SG ' ' A' ' 49' ' ' CYS . 13.8 mt -109.06 149.28 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -68.88 163.74 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.48 -5.75 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.569 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 21.46 8.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.674 0.274 . . . . 0.0 111.167 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -62.73 154.15 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.54 128.01 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -68.1 -22.57 64.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.95 -28.33 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 82' ' ' GLN . 11.2 m-85 -114.74 162.26 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -86.37 170.67 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 m -68.27 -30.92 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -79.12 -20.97 47.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.602 ' HB1' ' SG ' ' A' ' 49' ' ' CYS . . . -60.13 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.359 . . . . 0.0 111.055 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 45' ' ' THR . 2.6 t -111.59 -25.56 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 44' ' ' THR . 10.6 p -138.55 173.3 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 28' ' ' ALA . 18.7 mt -55.37 -55.11 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.15 -35.95 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -60.96 -43.14 99.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.717 ' SG ' HD11 ' A' ' 30' ' ' LEU . 35.6 m -66.2 -38.15 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.761 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 21' ' ' CYS . 93.3 mt -60.64 -46.72 89.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.702 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -44.63 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 -41.5 97.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.631 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -63.36 -43.86 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.61 96.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.287 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -36.75 78.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -64.46 -33.64 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.728 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' LEU . 1.9 tp -75.11 -44.05 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.515 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.89 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -78.22 -31.62 49.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 75' ' ' LEU . 7.4 tt -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.785 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.776 ' O ' HG22 ' A' ' 64' ' ' VAL . 19.3 ttt85 -75.72 -40.76 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -76.93 -26.87 54.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -54.3 -29.67 48.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.7 m -56.93 -29.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.228 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -68.92 -30.45 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.81 21.32 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.211 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.568 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 4.3 mt-30 -97.54 37.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mt -55.76 -44.49 99.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.375 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 33.8 Cg_exo -59.76 -31.4 94.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.038 . . . . 0.0 112.149 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -27.05 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.7 t -57.55 -31.61 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.78 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -45.68 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.801 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CB ' HD12 ' A' ' 60' ' ' LEU . 11.8 mt -62.8 -38.79 92.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.9 -51.02 71.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.72 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.19 -46.68 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mt -60.77 -49.63 76.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.806 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.11 86.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.09 98.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.459 HE21 ' HB2' ' A' ' 53' ' ' ALA . 3.5 tt0 -66.06 -50.48 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -39.67 72.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.64 -30.9 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.29 73.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.37 -46.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.13 83.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -68.68 -53.91 19.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -51.38 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.804 0.335 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.564 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 69.4 -65.86 0.28 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 p -57.66 -26.99 62.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.49 -26.65 41.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.255 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 2' ' ' LYS . 46.9 mt -69.34 -50.48 46.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.191 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.6 -29.96 60.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.119 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -43.76 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.71 -34.91 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -46.24 63.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -50.76 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -38.74 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.09 -48.04 79.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -41.28 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 83' ' ' LEU . 2.4 tt -59.75 -37.11 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -46.73 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -62.69 -50.88 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.57 -44.95 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.5 -29.99 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.029 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.83 -48.85 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -70.02 -34.03 72.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG22 ' A' ' 24' ' ' VAL . 87.0 m -98.72 13.79 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.312 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -60.34 -61.45 7.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.668 0.271 . . . . 0.0 111.147 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 73.8 Cg_endo -75.51 60.1 5.71 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.548 2.165 . . . . 0.0 112.485 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 21' ' ' CYS . 34.6 m -119.31 -11.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.747 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.2 p -59.95 -21.85 61.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.432 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.4 -42.0 68.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.762 0.315 . . . . 0.0 111.329 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 26.26 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.158 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.91 122.6 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -149.4 126.03 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 44' ' ' THR . 8.2 mt -100.73 136.24 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.5 p -59.9 176.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.11 1.84 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.575 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -97.31 21.34 10.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.41 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 10.6 p90 -63.04 145.0 56.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.046 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.01 130.05 53.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' NH2' ' CD1' ' A' ' 34' ' ' PHE . 10.9 mmp_? -65.81 -22.29 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -76.44 -44.37 36.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.187 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.608 HD22 ' HB1' ' A' ' 81' ' ' ALA . 69.8 mt -84.29 -31.07 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 34.1 m-85 -115.06 152.19 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.11 170.91 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.5 m -64.0 -36.42 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.14 -20.91 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 87.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.496 ' C ' HD12 ' A' ' 30' ' ' LEU . 10.0 t -110.67 -27.89 8.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.472 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 69.8 p -138.84 175.04 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.6 -54.95 40.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -57.14 -35.76 69.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.472 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -67.72 -34.85 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.94 -48.57 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.744 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.02 -40.44 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.34 -49.03 75.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.759 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.31 -41.67 89.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.13 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.553 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -63.91 -38.2 95.75 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.317 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.6 -31.88 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.18 -54.14 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.7 pp -59.88 -37.99 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -59.69 -54.85 41.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.4 81.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.663 HD11 HG13 ' A' ' 72' ' ' VAL . 15.3 tp -65.16 -31.65 72.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.786 ' O ' HG22 ' A' ' 64' ' ' VAL . 34.0 mtp180 -72.2 -44.25 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -76.93 -27.84 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -58.5 -28.21 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 61' ' ' ARG . 31.7 m -56.1 -29.52 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.329 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.56 -29.18 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 14.09 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 54.52 48.32 20.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.908 0.385 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 41.1 mt-30 -97.24 37.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.7 mm? -52.4 -49.37 85.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.349 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 55.8 Cg_exo -51.61 -33.05 46.93 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.353 2.036 . . . . 0.0 112.283 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 75' ' ' LEU . 4.2 mt-30 -78.02 -24.76 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.663 HG13 HD11 ' A' ' 60' ' ' LEU . 61.2 t -58.68 -29.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.069 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.96 -52.78 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -48.54 67.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -60.13 -33.8 72.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.96 -44.54 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.81 -43.9 97.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.52 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.05 94.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.608 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -65.99 -37.42 85.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.44 -52.23 66.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -62.5 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.38 -41.34 69.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.626 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.02 -43.24 96.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.3 mt -65.97 -44.22 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.048 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -50.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 8.4 mt-10 -61.42 -48.11 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.62 75.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -66.24 -43.51 86.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.98 -57.2 13.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 11.8 m95 -61.2 -24.15 66.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.976 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m 67.22 150.69 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tp -65.27 80.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.79 30.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 61.04 165.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 7.8 m95 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.913 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mmm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.748 0.308 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.31 43.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.067 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.464 ' HA ' HD21 ' A' ' 6' ' ' LEU . 11.9 m -77.81 -17.95 56.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.22 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.26 -25.25 42.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.402 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -50.19 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.349 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 7' ' ' LEU . 2.8 pp -56.77 -50.83 71.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.38 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.774 ' N ' HD12 ' A' ' 6' ' ' LEU . 3.9 pp -63.87 -39.48 94.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.019 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.729 ' N ' HD12 ' A' ' 7' ' ' LEU . 8.0 mt-10 -66.15 -31.28 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -73.98 -36.06 64.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.0 mm? -66.12 -47.97 72.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.99 -40.14 83.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.87 -34.94 91.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.577 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -74.01 -51.13 16.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.786 HD11 ' HB1' ' A' ' 53' ' ' ALA . 6.4 tt -60.7 -35.55 76.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.026 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.89 -52.22 38.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 m -63.1 -50.24 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -58.97 -51.19 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.065 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -62.27 -26.12 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.41 -43.39 32.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.079 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -29.61 45.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.052 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.76 13.88 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.359 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.33 -54.79 45.9 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.212 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.759 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.9 Cg_endo -84.8 44.66 1.51 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.792 2.328 . . . . 0.0 112.792 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 24' ' ' VAL . 15.3 t -122.7 22.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.206 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.0 p -66.86 -32.39 73.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.059 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.31 -29.85 60.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.22 26.16 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.672 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -86.57 127.6 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.201 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -149.21 125.51 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.578 HD12 ' C ' ' A' ' 44' ' ' THR . 10.7 mt -97.65 135.52 39.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 p -61.72 175.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.39 1.94 49.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.538 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -96.85 21.42 9.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.642 0.258 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -62.59 149.01 44.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 123.96 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -63.4 -27.53 69.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -34.92 30.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.048 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.481 HD22 ' HB1' ' A' ' 81' ' ' ALA . 70.3 mt -81.45 -31.17 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.31 160.71 19.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.36 170.72 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -63.89 -23.37 67.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.574 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -94.51 21.44 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.212 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.29 89.47 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.578 ' C ' HD12 ' A' ' 30' ' ' LEU . 5.0 t -109.97 -26.95 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.577 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 74.5 p -138.44 178.72 6.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 28' ' ' ALA . 21.2 mt -58.24 -47.8 82.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.91 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -70.29 -53.75 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.4 -39.01 91.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.52 -45.58 92.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -42.92 99.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.95 -38.42 85.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.786 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.28 -38.29 95.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.284 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.6 -33.28 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.677 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.85 -54.18 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.667 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.4 pp -63.92 -35.55 81.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.782 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.478 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.49 -54.85 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.47 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.679 HD12 ' CB ' ' A' ' 75' ' ' LEU . 7.3 tt -67.13 -39.88 86.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.692 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.847 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -69.31 -36.39 76.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.689 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -76.99 -27.57 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -56.15 -37.73 69.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.39 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 61' ' ' ARG . 32.0 m -56.22 -29.56 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.19 -30.59 70.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -101.03 21.36 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 58.74 55.31 4.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 53.7 mt-30 -109.82 37.38 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 80.5 mt -50.97 -54.36 38.2 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.67 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 19.8 Cg_endo -58.55 -26.23 77.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.278 1.986 . . . . 0.0 112.44 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -30.56 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.828 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 68' ' ' GLN . 42.1 t -58.47 -31.66 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.65 93.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.31 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.679 ' CB ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -59.19 -33.59 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.27 77.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -62.26 -44.5 96.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -62.27 -36.87 83.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.49 -48.96 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.89 82.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -64.76 -47.87 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.86 -45.78 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.541 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -60.51 -46.77 88.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.77 -41.94 87.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.95 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 83' ' ' LEU . 6.0 mt -65.42 -43.35 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.88 78.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -53.76 50.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 13.2 pt-20 -61.21 -42.83 99.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.51 86.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.8 p -76.14 -34.91 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.23 -60.58 3.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 9.9 m95 -62.15 -25.62 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 m -71.23 64.3 0.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.63 24.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.016 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -167.19 31.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.788 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.91 38.42 24.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.816 0.341 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.4 -66.1 0.27 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 p -57.34 -30.77 65.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.62 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.12 -46.08 24.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.78 -46.16 90.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.25 -37.83 84.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -70.96 -44.66 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -51.23 70.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -46.64 88.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -60.57 -40.36 91.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.33 -46.54 69.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -67.35 -46.34 73.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD11 HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.78 -44.89 93.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -67.6 -40.85 84.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.83 HD21 HG21 ' A' ' 86' ' ' ILE . 1.1 tp -64.41 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.82 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.12 -31.27 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.124 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.48 -42.75 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.314 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -40.81 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.595 ' O ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -90.59 13.7 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.552 -179.713 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.858 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.36 -62.35 3.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.606 0.241 . . . . 0.0 110.972 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 83.9 Cg_endo -80.74 56.4 6.07 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.156 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 21' ' ' CYS . 13.9 p -115.8 -3.93 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.716 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 p -58.34 -21.72 50.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.718 0.294 . . . . 0.0 111.188 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -71.69 -51.76 21.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.145 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CZ ' HG23 ' A' ' 24' ' ' VAL . 26.4 p90 -111.77 26.14 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.18 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -65.08 125.34 24.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.6 m -149.2 126.82 11.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 44' ' ' THR . 6.1 mt -90.79 140.67 29.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -65.98 151.94 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.36 -10.73 60.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.549 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.3 21.48 6.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.209 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -56.93 144.15 34.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -118.38 127.86 54.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -68.79 -25.85 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -77.75 -29.2 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.614 HD23 ' HB1' ' A' ' 81' ' ' ALA . 12.4 mt -93.84 -32.43 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.006 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 72.4 m-85 -119.68 160.58 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.87 167.93 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.3 t -64.74 -29.41 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -20.82 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.0 89.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.635 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -112.79 -33.88 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.9 p -137.66 172.99 12.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 24' ' ' VAL . 12.6 mt -59.6 -48.97 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.36 -40.01 85.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.77 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.992 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.14 -45.34 92.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 18' ' ' ARG . 3.4 tp -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -39.39 84.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.07 -38.27 88.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.725 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.21 90.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.67 97.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.344 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.67 -31.6 66.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -66.04 -54.83 20.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.8 pp -62.19 -37.71 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.59 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.37 -37.55 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -73.97 -34.05 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' A' ' 75' ' ' LEU . 7.8 tt -69.49 -38.31 77.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.771 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.815 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -70.88 -42.29 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -76.97 -26.88 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -56.1 -36.14 67.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.424 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.2 m -54.07 -28.96 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.334 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -27.05 61.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -95.83 21.25 8.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 58.88 43.78 17.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.7 mt-30 -100.9 37.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 39.1 mt -55.47 -57.49 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.392 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 27.9 Cg_endo -62.51 -22.4 73.97 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.309 2.006 . . . . 0.0 112.395 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -27.11 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.013 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 68' ' ' GLN . 23.9 t -55.76 -26.67 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.406 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.63 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -41.96 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.773 ' HB3' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -63.52 -38.39 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.43 76.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.21 -40.78 86.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -68.13 -43.92 77.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.43 HD21 ' N ' ' A' ' 57' ' ' LEU . 1.2 mt -60.41 -52.58 64.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.84 -48.92 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.614 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -58.77 -45.64 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.45 -52.64 64.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -59.23 -44.81 92.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.22 -43.16 99.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -62.85 -45.66 91.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.83 HG21 HD21 ' A' ' 17' ' ' LEU . 7.0 mt -62.65 -44.86 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -46.43 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 23.3 mt-10 -63.84 -54.9 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.4 -40.22 81.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 t -71.66 -30.64 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.95 -59.56 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.408 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 12.5 m95 -57.27 -24.33 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.3 t -69.75 145.95 51.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.87 53.84 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.18 37.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 58.12 92.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.408 ' CE3' ' HB3' ' A' ' 93' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tmm? . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -108.77 -58.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.6 m -61.98 -36.95 83.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.31 89.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -59.88 -44.86 93.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -74.25 -26.53 60.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.407 HD11 ' HG3' ' A' ' 61' ' ' ARG . 1.4 tt -59.21 -46.67 87.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.061 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.6 -35.86 75.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.23 -41.77 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.022 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -47.16 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -63.42 -40.07 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.0 -49.39 72.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -66.67 -43.85 83.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.679 HD11 ' HB1' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -68.52 -28.98 67.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.01 57.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 17' ' ' LEU . 12.9 t -68.21 -44.98 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.038 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -58.41 -54.18 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.219 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 7.6 ptm180 -63.93 -30.33 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.084 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -66.93 -42.51 85.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -38.63 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.2 m -93.26 13.75 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.0 -57.83 21.43 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.684 0.278 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 87.0 Cg_endo -81.43 52.05 4.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.723 2.282 . . . . 0.0 112.666 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.709 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 15.8 t -122.6 16.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.373 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -29.24 68.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -65.47 -41.07 93.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.93 26.26 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.1 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.3 141.64 24.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 m -61.69 176.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.24 1.97 38.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.642 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -89.52 9.41 26.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.623 0.249 . . . . 0.0 111.376 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -65.27 143.2 57.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.64 118.89 32.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.61 HH12 HG23 ' A' ' 41' ' ' THR . 49.3 mtt-85 -59.13 -19.65 46.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.383 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -74.14 -43.39 57.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.39 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -94.79 -17.91 21.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.535 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -112.86 159.32 19.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.974 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.64 168.1 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.61 HG23 HH12 ' A' ' 36' ' ' ARG . 39.5 m -70.65 -31.82 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.62 -10.75 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.357 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.18 90.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -113.05 -33.18 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 p -136.3 170.2 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -57.79 -53.96 52.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -42.5 79.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.87 76.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -43.84 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.764 HD21 HD23 ' A' ' 17' ' ' LEU . 48.9 mt -60.12 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.04 -37.75 83.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.708 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.44 -42.32 87.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -45.92 95.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.275 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.17 -37.68 83.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.61 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.481 ' HB2' HD21 ' A' ' 79' ' ' LEU . 65.6 m-20 -65.56 -38.02 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 14' ' ' LEU . 5.7 mt -62.64 -47.29 84.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.722 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.46 79.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.01 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.888 HD11 HG13 ' A' ' 72' ' ' VAL . 14.6 tp -68.54 -47.62 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.721 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.778 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -60.88 -42.26 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.78 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -76.96 -26.81 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -53.91 -28.57 37.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.369 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 61' ' ' ARG . 32.3 m -57.35 -29.8 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.44 -30.7 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -96.93 21.1 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 54.59 45.94 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.91 0.386 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.659 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 25.3 mt-30 -97.27 37.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.489 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -58.54 -48.03 97.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.177 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.489 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 28.2 Cg_exo -61.73 -31.99 86.24 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.357 2.038 . . . . 0.0 112.178 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -26.05 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.888 HG13 HD11 ' A' ' 60' ' ' LEU . 42.9 t -53.22 -28.16 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.8 87.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -43.42 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 60' ' ' LEU . 3.8 mt -66.65 -33.75 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.87 -54.22 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.57 -34.7 74.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -73.12 -50.11 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 56' ' ' ASN . 13.2 mt -59.4 -44.11 92.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.95 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.32 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.48 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -66.9 -44.35 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -52.86 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.19 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.96 -46.42 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -56.72 -50.63 71.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.288 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 1.6 ttm180 -65.29 -36.42 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -60.16 -59.09 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.87 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.73 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.5 t -59.55 -31.03 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 88' ' ' ARG . . . -67.92 -59.79 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 10.7 m95 -58.65 -26.76 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 p 60.62 -164.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.71 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 95' ' ' LEU . 1.3 pp -71.02 64.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 178.43 61.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.673 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 170.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.108 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 49.4 p90 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.897 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.819 0.343 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.56 ' HB2' HD12 ' A' ' 5' ' ' LEU . 5.4 tttt -131.32 164.88 24.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -74.83 -38.76 61.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.44 -27.13 41.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.216 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 2' ' ' LYS . 2.8 mt -76.2 -48.86 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.142 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 7' ' ' LEU . 3.9 pp -56.12 -41.55 75.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.135 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.712 ' N ' HD12 ' A' ' 6' ' ' LEU . 5.3 tp -60.8 -32.2 71.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -46.53 85.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -34.42 56.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -60.46 -36.29 77.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -54.56 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.21 97.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.602 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -66.56 -37.87 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.674 ' CD1' HD11 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.35 -48.29 78.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.011 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -63.26 -51.94 64.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -34.22 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.705 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 1.6 mmm180 -69.99 -37.27 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.049 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -37.38 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.042 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -28.81 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.03 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.618 ' CB ' HD11 ' A' ' 50' ' ' LEU . 34.5 m -108.54 13.75 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.95 -62.24 6.02 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 85.0 Cg_endo -77.5 60.63 7.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.515 2.143 . . . . 0.0 112.346 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.59 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.2 m -118.47 -9.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.754 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.406 ' OG ' ' NE2' ' A' ' 47' ' ' GLN . 0.9 OUTLIER -58.13 -21.25 45.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.657 0.265 . . . . 0.0 111.389 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -51.77 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.8 26.29 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -67.18 122.8 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -149.26 125.51 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 45' ' ' THR . 10.2 mt -101.28 149.32 24.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -66.59 166.65 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -7.45 54.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 21.32 7.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -60.94 148.26 40.41 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -109.9 130.02 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -20.49 66.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.21 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -45.91 45.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.068 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.3 -30.54 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 4.1 m-85 -115.45 154.06 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.67 173.64 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -78.08 -23.23 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -94.12 19.19 9.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.52 99.43 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.6 p -121.52 0.75 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.423 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.623 ' N ' HD12 ' A' ' 30' ' ' LEU . 41.0 p -148.94 169.3 20.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.426 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -61.76 -32.67 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.01 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.619 ' SG ' HD11 ' A' ' 30' ' ' LEU . 1.5 m -64.35 -53.97 40.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.618 HD11 ' CB ' ' A' ' 21' ' ' CYS . 88.3 mt -61.71 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -64.26 -42.74 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.694 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.41 -43.33 96.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -60.94 -41.79 96.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.767 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.29 97.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.225 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.658 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.674 HD11 ' CD1' ' A' ' 14' ' ' LEU . 1.4 mt -63.01 -44.93 94.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.667 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.15 87.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.704 HD11 HG13 ' A' ' 72' ' ' VAL . 6.1 tp -62.06 -59.21 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.613 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.1 ptp85 -61.09 -29.03 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -76.93 -31.13 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.718 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.7 m -53.87 -26.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.02 -24.2 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -106.92 21.38 17.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 63.02 55.97 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.926 0.393 . . . . 0.0 111.157 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.718 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -115.83 37.32 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 6.5 mt -52.86 -57.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.478 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.7 Cg_endo -53.22 -25.78 31.4 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.372 2.048 . . . . 0.0 112.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -78.27 -29.94 48.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.704 HG13 HD11 ' A' ' 60' ' ' LEU . 24.8 t -59.1 -28.38 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.3 82.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -48.29 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.55 -33.81 75.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.32 -54.19 37.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -37.57 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -67.54 -43.13 81.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.87 -46.94 85.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.672 ' HA ' HD11 ' A' ' 10' ' ' LEU . . . -61.2 -41.22 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.0 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -55.03 23.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.638 HD12 HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -58.68 -44.12 90.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.68 -30.39 71.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.645 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -67.33 -43.41 81.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 49' ' ' CYS . 35.9 mm -65.63 -46.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.11 82.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -70.83 -45.76 63.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.76 -48.34 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.17 90.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.5 p -68.27 -30.76 69.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.14 -52.94 29.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -59.0 -24.74 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 t -56.76 -22.51 36.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.262 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.07 58.57 0.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.88 31.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 58.22 30.58 19.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.866 0.365 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -108.97 160.77 15.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -17.11 63.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.234 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.39 67.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.339 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.5 -53.5 47.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.177 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.541 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.4 pp -74.7 -33.18 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.978 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -64.13 -42.02 96.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.722 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -60.45 -36.38 78.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -71.63 -35.45 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.993 HD23 HD13 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -68.78 -44.71 73.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.13 -40.72 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.29 -46.73 93.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -42.64 86.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' HD12 ' A' ' 83' ' ' LEU . 3.0 mt -65.4 -36.84 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 m -68.52 -33.67 74.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -73.86 -33.39 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HG2' HD21 ' A' ' 50' ' ' LEU . 4.4 tmt_? -74.48 -32.66 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.023 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.08 -39.46 49.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -81.34 -40.91 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.95 13.82 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.4 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -53.53 -61.83 4.53 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.648 0.261 . . . . 0.0 111.226 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 72.4 Cg_endo -76.31 60.42 6.36 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.544 2.163 . . . . 0.0 112.214 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.0 -18.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.501 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.8 p -47.55 -28.27 2.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.747 0.308 . . . . 0.0 111.465 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.11 -51.74 68.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -119.8 26.21 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 122.77 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.25 128.72 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.563 HD12 ' C ' ' A' ' 44' ' ' THR . 26.3 mt -97.96 149.34 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -56.67 156.96 5.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.1 -1.42 52.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.571 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -96.25 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -65.26 146.45 54.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.75 121.42 38.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.659 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -63.57 -16.81 61.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.09 -31.12 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.387 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 4.6 pp -114.01 -17.71 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.606 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 1.1 m-85 -112.9 157.74 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.81 155.8 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -64.63 -34.84 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -76.54 -20.94 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.224 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 86.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.563 ' C ' HD12 ' A' ' 30' ' ' LEU . 29.6 p -112.13 -29.57 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.51 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 69.5 p -130.86 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -56.65 -41.69 77.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -70.92 -36.22 72.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.51 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -62.88 -47.7 82.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.0 p -73.17 -37.39 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 18' ' ' ARG . 14.3 tp -60.59 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -44.59 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.679 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.72 -36.71 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.43 -45.63 90.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -60.52 -42.23 99.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.267 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.8 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.8 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.31 -55.32 14.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.597 ' HA ' HD11 ' A' ' 79' ' ' LEU . 3.7 pp -61.35 -37.47 83.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.553 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.91 -45.67 81.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 72' ' ' VAL . 59.8 tp -68.08 -42.48 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.749 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.809 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -62.88 -44.56 95.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -76.89 -26.91 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.64 -31.69 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 61' ' ' ARG . 30.9 m -56.19 -30.13 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.297 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -26.87 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -95.37 21.38 8.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 59.07 59.47 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -114.36 35.84 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 7.3 mp -55.79 -61.76 5.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.216 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 11.5 Cg_endo -55.12 -23.05 34.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.529 2.153 . . . . 0.0 112.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -26.22 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.521 HG13 HD11 ' A' ' 60' ' ' LEU . 25.9 t -56.23 -26.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.334 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -48.89 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -58.61 -32.04 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.03 -49.77 47.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.02 -32.39 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.696 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -75.24 -46.86 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.765 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.597 HD11 ' HA ' ' A' ' 57' ' ' LEU . 12.5 mt -61.61 -48.1 82.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -64.64 -44.95 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.69 -50.43 73.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.993 HD13 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.39 -42.71 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -63.7 -40.89 97.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 mt -70.77 -39.7 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.93 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.88 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 12.3 pt-20 -60.27 -47.6 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.768 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.61 -34.2 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.028 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m -71.03 -37.05 72.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.67 86.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 6.3 m95 -64.62 -16.84 63.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.2 29.68 4.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.861 0.362 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 58.2 107.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.026 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -160.08 29.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 58.11 72.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 4.1 t90 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.904 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.622 ' H ' HD21 ' A' ' 5' ' ' LEU . 3.3 tttt -103.82 168.28 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.1 p -77.36 -25.1 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.7 -56.79 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.332 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.622 HD21 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -64.62 -36.85 85.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.996 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.0 -36.78 77.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -31.11 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.91 -51.93 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -63.75 -50.41 69.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.002 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -48.37 81.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.016 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.41 -33.89 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.8 -47.01 79.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.556 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.36 -41.79 76.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.979 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.749 ' HB2' HD11 ' A' ' 83' ' ' LEU . 3.9 tp -62.74 -50.28 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.23 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.288 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -61.63 -54.07 47.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.15 -29.95 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.674 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -68.0 -47.87 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.75 -38.95 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -35.9 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.586 ' HB3' HD11 ' A' ' 50' ' ' LEU . 28.1 t -106.93 13.84 27.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.395 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -61.2 -54.63 51.67 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.669 0.271 . . . . 0.0 111.243 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 84.3 Cg_endo -82.39 50.22 3.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.732 2.288 . . . . 0.0 112.838 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 24' ' ' VAL . 38.6 t -122.56 -5.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.686 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -58.4 -26.33 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.798 0.333 . . . . 0.0 111.223 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.75 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -123.16 26.24 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB1' ' H ' ' A' ' 47' ' ' GLN . . . -60.02 122.64 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -149.31 140.05 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -109.0 149.38 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.48 172.67 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.55 2.02 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.55 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.76 21.42 7.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -69.08 142.22 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.98 123.3 44.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -21.42 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -89.73 -26.31 20.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.288 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.2 -23.15 18.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.372 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 31.4 m-85 -112.94 157.61 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.048 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -81.53 174.77 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.796 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.7 p -72.72 -29.73 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.43 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.02 89.18 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -112.78 -28.17 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.428 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 68.8 p -130.66 173.35 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 28' ' ' ALA . 16.1 mt -61.94 -45.22 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.537 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 4.1 pt20 -67.09 -33.1 74.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.762 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -71.43 -33.27 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -46.57 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 21' ' ' CYS . 9.5 mt -63.2 -49.16 75.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.68 -36.89 79.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.62 -41.55 83.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.0 96.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.799 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.89 99.75 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.147 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.62 -41.62 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.615 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.68 -35.5 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.629 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.603 HD13 HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.44 -47.44 79.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.95 85.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.641 ' HG ' HG13 ' A' ' 72' ' ' VAL . 2.5 tt -65.03 -45.58 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -66.48 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.09 -30.92 55.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.729 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.631 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -65.55 -48.6 71.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 61' ' ' ARG . 19.5 m -52.83 -29.42 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.189 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.05 -30.22 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.3 21.37 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 60.3 40.49 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.631 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 10.8 mt-30 -98.65 37.47 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.735 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.8 mm? -46.04 -61.63 2.4 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.549 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.8 Cg_endo -51.15 -28.89 26.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -30.86 48.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.641 HG13 ' HG ' ' A' ' 60' ' ' LEU . 23.5 t -63.58 -33.61 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.51 94.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.492 ' CB ' HD12 ' A' ' 60' ' ' LEU . 4.6 mt -69.58 -36.49 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.39 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.54 -44.43 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.77 -41.58 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.9 84.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.57 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -55.47 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -60.19 -36.56 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.5 -47.15 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.642 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.75 -43.02 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.0 mt -66.02 -49.47 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -33.51 70.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -69.33 -45.86 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 1.3 tp10 -60.38 -46.24 90.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.2 86.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -66.22 -30.51 70.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.63 -57.31 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.224 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 13.7 m95 -57.34 -26.21 60.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -74.52 -7.83 54.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.432 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 tp -97.59 30.31 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.77 0.319 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -164.3 30.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.52 107.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 15.9 t90 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.897 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.808 0.337 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.495 ' N ' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -170.33 169.93 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.4 m -75.82 -37.18 59.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.03 38.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.495 HD21 ' N ' ' A' ' 2' ' ' LYS . 2.4 pp -64.12 -37.86 88.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' O ' HD13 ' A' ' 10' ' ' LEU . 12.5 mt -66.51 -27.7 67.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -52.43 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.125 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -60.47 -34.88 74.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -51.98 16.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.953 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 6' ' ' LEU . 6.9 mp -59.06 -53.16 61.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.013 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -69.05 -33.92 74.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.07 -45.08 96.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.571 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HB3' HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -76.24 -43.78 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 14' ' ' LEU . 2.8 tt -61.03 -33.24 72.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.21 -51.9 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -63.17 -48.65 77.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD22 HG21 ' A' ' 86' ' ' ILE . 1.5 tt -60.06 -50.1 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -63.14 -35.51 80.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.31 -43.32 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -34.53 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -92.95 13.7 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -60.09 -54.5 54.65 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.4 Cg_endo -83.87 47.34 2.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.857 2.371 . . . . 0.0 112.687 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 24' ' ' VAL . 18.8 t -122.7 10.93 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.66 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 t -60.61 -31.37 70.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -72.19 -44.12 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -105.18 26.27 9.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -71.42 124.14 23.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.7 m -149.17 138.61 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 44' ' ' THR . 66.5 mt -107.68 149.26 28.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -61.04 172.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.54 -0.4 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.609 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.62 21.4 9.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.674 0.273 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -69.64 135.56 50.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -116.06 119.11 34.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -56.26 -23.27 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.289 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -69.24 -29.09 66.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.101 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 ' HB1' ' A' ' 81' ' ' ALA . 16.7 mt -107.47 -23.41 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.189 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CE2' ' HB1' ' A' ' 85' ' ' ALA . 1.8 m-85 -112.98 150.12 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 169.67 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 p -63.48 -24.77 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.34 19.55 9.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.247 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.21 75.9 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.654 ' C ' HD12 ' A' ' 30' ' ' LEU . 32.9 p -113.09 -28.35 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 p -125.73 168.05 14.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.8 mt -60.03 -55.08 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -61.67 -29.07 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.69 -53.6 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -62.27 -39.35 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 50' ' ' LEU . 6.1 mt -61.85 -46.91 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.58 -40.64 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.03 -39.61 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.22 93.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.0 -37.33 93.69 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.213 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -31.93 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.84 -56.31 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.3 pp -60.52 -38.84 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.656 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.463 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.09 -46.61 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.62 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.769 HD11 HG13 ' A' ' 72' ' ' VAL . 6.4 tp -66.71 -48.48 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.73 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -60.95 -43.41 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.18 -26.88 60.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.643 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -54.3 -26.8 31.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.341 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 61' ' ' ARG . 29.0 m -52.67 -28.62 13.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.22 -30.78 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.11 -4.33 58.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.386 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 63.82 49.5 2.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.643 ' CG ' ' HB1' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -117.32 37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.7 mm? -47.94 -50.15 55.16 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.408 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 74.5 Cg_exo -49.28 -26.5 11.53 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.404 2.07 . . . . 0.0 112.373 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.599 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -73.12 -24.24 60.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.769 HG13 HD11 ' A' ' 60' ' ' LEU . 36.3 t -54.72 -30.57 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.205 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.1 61.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -64.23 -35.02 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.718 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.27 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.51 -43.4 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -62.78 -37.25 85.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.679 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.82 -46.41 90.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.679 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.81 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.682 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -59.63 -35.15 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.92 -41.25 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.714 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 13' ' ' GLN . 0.4 OUTLIER -59.78 -49.17 78.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.36 -36.87 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.624 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -60.24 -44.41 95.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.473 HG21 HD22 ' A' ' 17' ' ' LEU . 34.8 mt -65.46 -38.85 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.84 -31.34 70.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -47.01 67.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.72 75.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 98' ' ' TRP . . . -59.89 -36.53 77.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t -73.38 -32.26 64.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.11 -59.76 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -58.67 -30.57 67.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -99.63 -175.47 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 tp -129.13 32.67 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -177.44 46.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 42.37 93.99 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.623 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.606 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.963 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.809 0.338 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.667 ' HB3' HD12 ' A' ' 5' ' ' LEU . 16.3 tttt -147.78 145.79 28.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m -62.58 -40.17 96.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.16 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.667 HD12 ' HB3' ' A' ' 2' ' ' LYS . 1.4 mt -60.49 -40.45 91.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.47 -30.91 68.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -52.36 44.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.54 -36.11 82.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -68.1 -57.59 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.96 -46.48 89.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.51 -35.81 75.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.43 50.57 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.28 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.667 ' HB2' HD11 ' A' ' 83' ' ' LEU . 6.2 tt -67.46 -38.06 83.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.76 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -65.54 -37.74 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.432 HD21 HG22 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -73.74 -39.72 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.698 ' HA ' HD21 ' A' ' 50' ' ' LEU . 5.1 ttt-85 -65.01 -33.92 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.39 -34.28 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -36.64 57.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.841 ' O ' HG22 ' A' ' 24' ' ' VAL . 7.7 m -101.23 13.8 33.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.52 -55.15 15.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.699 0.285 . . . . 0.0 111.447 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 72.0 Cg_endo -86.7 39.11 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.856 2.371 . . . . 0.0 113.315 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 21' ' ' CYS . 23.6 m -122.65 18.68 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 p -69.81 -29.3 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -70.07 -37.16 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -119.34 26.24 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -71.24 124.15 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.498 ' HA ' HG22 ' A' ' 45' ' ' THR . 4.4 t -147.67 128.96 14.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 30' ' ' LEU . 5.4 mt -94.48 149.33 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -68.86 175.82 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.68 2.07 52.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.559 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.01 21.37 6.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.689 0.281 . . . . 0.0 111.225 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -68.37 138.24 55.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.08 130.14 56.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -22.95 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.8 42.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.164 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.64 -24.08 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.366 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -112.99 164.95 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 174.7 6.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -66.66 -25.77 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.52 7.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.99 84.42 2.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 45' ' ' THR . 23.3 p -129.48 13.77 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.252 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -164.27 169.53 17.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 111.034 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.24 -55.04 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB2' ' OG1' ' A' ' 45' ' ' THR . . . -62.45 -48.47 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.776 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -65.06 -34.25 77.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 179.738 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 18' ' ' ARG . 1.7 tp -64.27 -45.74 86.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -64.24 -40.26 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.07 -40.91 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.611 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -65.67 -42.28 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.29 -37.86 94.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.202 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.09 -33.27 59.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.522 ' HB3' HD11 ' A' ' 79' ' ' LEU . 22.5 m-20 -67.85 -49.52 61.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.658 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.8 pp -67.72 -36.54 80.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -50.91 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.828 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.004 HD11 HG13 ' A' ' 72' ' ' VAL . 5.2 tp -66.98 -45.94 76.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.712 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.769 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.44 -42.14 95.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.644 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -76.83 -26.83 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.77 -29.14 53.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.382 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.7 m -56.11 -28.86 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.253 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -30.51 63.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 15.71 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 54.27 49.18 19.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.863 0.364 . . . . 0.0 111.124 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.898 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 10.6 mt-30 -98.3 37.38 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.9 mm? -53.11 -59.48 9.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.479 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 10.7 Cg_endo -54.12 -24.42 33.1 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.481 2.121 . . . . 0.0 112.373 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.01 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.004 HG13 HD11 ' A' ' 60' ' ' LEU . 25.9 t -60.76 -29.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.186 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.08 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.277 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -49.35 65.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.4 -30.31 68.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.4 -54.22 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -32.42 72.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -69.07 -47.17 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 56' ' ' ASN . 3.4 mt -65.83 -46.46 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.005 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.85 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.52 -56.58 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -61.06 -45.59 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 14' ' ' LEU . 1.9 tt -57.27 -44.19 83.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.057 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -46.47 89.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.466 HD11 ' SG ' ' A' ' 49' ' ' CYS . 13.4 mt -63.41 -46.34 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.31 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.202 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -49.01 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.22 89.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m -69.07 -31.45 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.23 -51.91 52.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.461 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 10.0 m95 -59.22 -26.45 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -65.85 -15.24 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.542 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 mt -109.72 30.78 6.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.705 0.288 . . . . 0.0 111.27 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.62 29.83 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.18 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.21 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.051 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.461 ' CZ3' ' CD1' ' A' ' 93' ' ' TRP . 3.4 t90 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.742 ' HB3' HD21 ' A' ' 5' ' ' LEU . 32.1 mttm -153.96 30.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -77.7 -26.16 49.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.86 15.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.319 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.742 HD21 ' HB3' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -61.58 -31.63 71.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.03 -51.1 63.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.44 -34.17 65.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -64.16 -42.98 96.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -40.45 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.22 -42.12 80.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.82 -37.37 84.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.997 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.43 -49.56 55.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -39.22 76.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.43 -30.42 69.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.74 -52.25 18.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -36.16 80.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -42.55 76.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 1.4 ttt180 -68.65 -25.88 65.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.66 -42.85 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -81.24 -42.12 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG13 ' A' ' 24' ' ' VAL . 75.4 m -91.39 13.86 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.503 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -57.55 -61.66 6.82 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 98.4 Cg_endo -78.7 62.7 8.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 21' ' ' CYS . 35.2 m -113.73 -21.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -51.77 -26.04 8.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.71 0.29 . . . . 0.0 111.305 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.97 -51.76 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -116.12 26.23 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 123.86 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.5 t -147.11 126.88 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 44' ' ' THR . 10.5 mt -101.73 149.27 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.14 176.44 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.47 2.02 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.66 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -84.96 5.11 30.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -59.2 136.91 58.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.54 129.98 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.786 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -67.2 -13.67 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.388 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -70.98 -39.06 72.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 111.257 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -19.46 12.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.349 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -117.36 158.38 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -96.53 163.98 12.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.2 t -63.95 -23.18 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -20.96 62.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.33 93.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.452 ' C ' HD12 ' A' ' 30' ' ' LEU . 28.7 p -106.6 -31.69 8.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 p -150.45 179.27 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.51 -39.99 77.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.742 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.37 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.1 m -62.11 -48.08 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.535 HD22 ' HG3' ' A' ' 18' ' ' ARG . 9.2 mt -64.34 -48.81 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.725 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -60.89 -36.65 79.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.25 -44.12 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.71 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.63 97.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -62.57 -39.67 98.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.248 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.82 -31.8 57.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.686 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.06 -48.82 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.2 pp -66.16 -41.18 90.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.789 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -61.77 -48.8 79.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.05 67.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' CD1' HG13 ' A' ' 72' ' ' VAL . 2.5 tp -64.57 -49.73 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.797 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -68.43 -33.84 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -76.75 -26.86 55.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.853 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -53.43 -29.51 35.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.476 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.8 m -59.13 -34.65 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.01 -24.94 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -95.14 21.39 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 56.82 38.54 29.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.904 0.383 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.853 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 75.3 mm-40 -109.08 37.38 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 71.0 mt -54.8 -56.32 28.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.404 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 20.2 Cg_endo -60.73 -26.45 83.01 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.342 2.028 . . . . 0.0 112.284 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' ' 75' ' ' LEU . 5.4 mp0 -73.62 -28.13 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 68' ' ' GLN . 21.8 t -57.0 -29.1 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.61 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -51.44 56.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 71' ' ' GLN . 1.7 mp -59.78 -33.58 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.54 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.99 -35.7 75.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -34.83 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.61 -45.1 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.58 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.92 -32.52 73.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.62 -49.53 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.41 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.85 -47.2 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mt -64.64 -41.65 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.14 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -61.28 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 5.0 mt-10 -60.32 -49.93 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.14 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -36.44 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.96 -53.43 20.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 10.8 m95 -63.41 -17.54 62.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 p -49.45 167.99 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.813 0.34 . . . . 0.0 111.215 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.33 33.92 16.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.11 28.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 57.06 31.49 20.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 66.8 t90 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.95 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.89 0.376 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.403 ' HB3' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER 60.74 97.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.443 ' HA ' HD21 ' A' ' 6' ' ' LEU . 63.3 p -64.18 -27.56 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.91 -28.7 68.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.197 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 2' ' ' LYS . 16.2 mt -73.9 -53.47 10.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.02 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 7' ' ' LEU . 3.8 pp -62.24 -30.17 70.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -60.99 -43.59 98.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -60.12 -40.77 90.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -45.98 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.47 -34.63 74.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.53 -49.48 32.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.45 -50.7 62.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.561 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -40.54 95.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HB2' HD11 ' A' ' 83' ' ' LEU . 51.3 tp -66.49 -46.59 75.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.2 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.3 m -67.94 -40.16 83.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.6 tp -68.44 -37.23 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.69 -30.34 62.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.47 -34.78 41.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.33 -40.29 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.47 ' O ' HD22 ' A' ' 50' ' ' LEU . 70.9 m -91.94 13.73 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.401 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.83 -60.45 7.23 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.677 0.275 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 86.1 Cg_endo -80.08 53.73 4.88 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.65 2.233 . . . . 0.0 112.585 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 24' ' ' VAL . 21.3 t -122.68 5.36 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.71 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -29.25 70.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.795 0.331 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -73.59 -30.59 63.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.73 26.4 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -78.01 122.77 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.29 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.659 ' H ' HD12 ' A' ' 46' ' ' LEU . 56.0 m -149.34 125.56 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 30' ' ' LEU . 7.2 mt -98.1 148.63 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 t -78.26 176.56 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.37 2.0 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.26 21.34 7.07 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -63.96 143.07 58.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.54 127.93 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -27.05 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.97 -28.27 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.3 mt -90.89 -30.83 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 25.3 m-85 -113.1 164.92 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.008 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.4 174.75 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 p -66.44 -28.17 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.34 21.4 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.281 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.694 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . . . -110.58 96.35 6.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.044 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -128.26 3.72 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.524 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.434 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 48.7 p -156.79 176.41 12.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.08 -54.42 47.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -32.34 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 43' ' ' ALA . . . -63.51 -42.47 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.4 m -67.16 -37.78 84.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 21' ' ' CYS . 2.1 tp -63.12 -48.97 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -32.58 74.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.617 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.43 87.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.02 99.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.4 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -62.95 -39.14 97.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.334 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -32.03 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.637 ' OD1' HD23 ' A' ' 75' ' ' LEU . 3.5 m-80 -69.46 -47.41 64.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.782 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.1 pp -68.51 -39.25 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.776 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.521 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -60.9 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.2 -29.48 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.773 ' HG ' HG13 ' A' ' 72' ' ' VAL . 6.8 tt -67.83 -46.09 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.778 ' O ' HG22 ' A' ' 64' ' ' VAL . 3.5 ttt180 -67.76 -35.89 79.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.723 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.12 -30.5 55.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.77 ' HB1' ' HB3' ' A' ' 68' ' ' GLN . . . -58.6 -44.25 89.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.296 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.0 m -56.35 -28.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.207 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.502 ' OE1' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -75.03 -31.0 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.98 21.34 10.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 59.34 40.8 20.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.77 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -98.26 37.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.995 0.426 . . . . 0.0 110.713 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 5.0 mt -46.75 -54.1 21.61 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.663 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 17.6 Cg_endo -58.07 -28.01 81.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.96 . . . . 0.0 112.237 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.426 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -78.23 -31.57 49.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.773 HG13 ' HG ' ' A' ' 60' ' ' LEU . 33.0 t -60.93 -34.6 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.79 88.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -69.21 -48.6 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.637 HD23 ' OD1' ' A' ' 56' ' ' ASN . 1.3 mt -64.53 -30.52 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.21 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.22 -30.01 70.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.68 -43.2 85.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.85 92.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.78 72.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -69.46 -48.87 59.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -60.2 -43.02 96.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 83' ' ' LEU . 11.9 mt -62.77 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.44 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -54.23 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -64.87 -35.09 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.51 -38.28 89.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m -76.15 -27.29 56.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.57 -60.28 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.298 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 7.4 m95 -56.96 -31.06 64.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.62 152.52 28.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 tp -96.53 52.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 25.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 54.89 59.58 3.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.862 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -147.37 157.11 43.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -77.78 -26.85 50.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.68 -56.42 21.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.283 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.782 HD12 ' N ' ' A' ' 6' ' ' LEU . 4.4 pp -58.35 -30.33 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.782 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.4 mt -64.68 -48.73 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.61 -35.71 81.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.81 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.65 -47.32 75.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -60.96 -39.64 90.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -60.25 -53.11 61.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.4 -44.86 95.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.65 -45.64 94.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.566 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -70.37 -44.26 68.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -58.08 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.39 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -63.55 -37.2 86.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.75 -38.48 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.771 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -72.61 -26.02 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.27 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.112 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -81.36 -37.75 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -91.73 13.78 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.501 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.844 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -63.07 -61.82 6.72 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.844 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 78.9 Cg_endo -77.39 63.68 7.87 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.175 . . . . 0.0 112.383 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 29.9 m -120.94 -5.55 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -58.0 -25.32 60.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -62.86 -51.71 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.08 26.29 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -73.7 122.61 22.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.3 131.93 15.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 30' ' ' LEU . 13.2 mt -108.97 143.13 38.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.8 p -61.64 156.6 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.92 2.03 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.653 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 21.46 8.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 111.211 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -63.36 154.91 30.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.071 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' HB3' HD12 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -121.63 112.22 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.4 -25.55 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.351 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.71 -25.57 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.167 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 35' ' ' ASP . 4.2 mt -109.05 -24.61 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.263 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -114.3 164.93 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.95 174.73 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -68.31 -30.57 69.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -20.85 57.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 88.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -116.05 -33.25 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.431 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 44.4 p -143.13 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' ALA . 37.3 mt -58.33 -49.29 77.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -36.93 76.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -66.13 -36.25 82.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -66.34 -42.56 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.47 -49.33 77.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.74 -31.57 72.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -55.82 18.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.704 ' HB3' HH21 ' A' ' 18' ' ' ARG . . . -59.63 -38.6 81.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.26 -39.57 97.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -35.43 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.767 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -68.48 -45.01 73.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.36 -31.53 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' ' 75' ' ' LEU . 8.3 tt -68.13 -50.71 52.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.829 ' O ' HG22 ' A' ' 64' ' ' VAL . 9.0 ttt180 -64.55 -35.04 79.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.01 -28.67 55.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.9 80.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.435 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.8 m -54.91 -29.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.318 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.65 -29.43 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.17 21.41 8.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 60.86 40.65 15.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -108.53 37.35 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 30.7 mt -52.67 -44.33 95.07 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.434 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.3 Cg_exo -57.36 -35.54 98.87 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.289 1.993 . . . . 0.0 112.236 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.46 -29.72 69.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.28 -29.25 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.92 -51.75 66.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -48.31 68.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.723 ' HB2' HD12 ' A' ' 60' ' ' LEU . 5.5 mt -60.33 -37.87 81.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.72 -53.04 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.77 -43.86 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.437 ' HB3' HD21 ' A' ' 10' ' ' LEU . 12.0 mt -61.99 -48.73 79.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.16 77.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -69.83 -52.31 26.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -60.45 -43.72 96.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.83 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.27 92.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.7 mt -62.75 -38.79 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.74 79.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -69.28 -52.6 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -60.73 -43.63 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.02 85.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -69.27 -31.55 70.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.7 -54.4 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.403 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 13.2 m95 -59.42 -29.02 67.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t -58.05 162.52 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.4 tp 60.7 28.28 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -162.37 29.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 51.55 27.92 4.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.204 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.934 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.771 0.319 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' HD13 ' A' ' 5' ' ' LEU . 8.3 tttt -70.68 164.51 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -31.46 66.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.34 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.561 HD13 ' N ' ' A' ' 2' ' ' LYS . 5.4 mp -60.31 -52.93 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mt -61.37 -34.7 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.727 HD11 ' HG3' ' A' ' 61' ' ' ARG . 3.9 tp -66.7 -52.46 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.99 -43.76 98.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -60.05 -55.81 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.05 -33.67 72.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.44 -47.06 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.95 -44.34 98.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.86 -53.54 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -36.19 74.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.95 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -34.28 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.875 HD22 HD23 ' A' ' 83' ' ' LEU . 5.0 tp -71.55 -29.91 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.683 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.24 -48.66 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.029 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -29.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -81.31 -35.63 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.159 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.815 ' O ' HG22 ' A' ' 24' ' ' VAL . 73.4 m -105.73 13.9 29.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.494 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.44 -58.22 9.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.584 0.231 . . . . 0.0 111.415 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 70.7 Cg_endo -86.32 41.76 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.779 2.319 . . . . 0.0 113.149 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 21' ' ' CYS . 22.9 m -122.73 6.6 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.09 -31.06 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -120.74 26.26 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.043 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -79.28 127.49 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.5 m -148.26 125.53 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 45' ' ' THR . 10.7 mt -105.13 149.32 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 158.17 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.87 -2.17 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.601 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -96.24 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.726 0.298 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -62.67 143.66 57.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 128.44 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -63.12 -18.35 63.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.353 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.56 -32.34 71.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.735 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 3.2 pp -109.93 -23.09 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -112.97 164.82 12.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -78.46 152.56 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 m -57.29 -30.77 64.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -102.31 21.49 14.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.217 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 49' ' ' CYS . . . -97.39 96.08 8.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.7 -7.57 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.498 ' N ' HD12 ' A' ' 30' ' ' LEU . 28.8 p -142.07 168.6 19.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.992 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 28' ' ' ALA . 20.8 mt -59.91 -49.27 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -35.98 81.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.09 -53.71 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 86' ' ' ILE . 27.5 p -66.89 -37.18 83.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 18' ' ' ARG . 24.7 tp -62.28 -47.1 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.12 -47.68 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.636 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.39 -36.86 85.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.5 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.62 -29.81 72.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.335 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.21 -58.09 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.793 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.615 ' OD1' HD21 ' A' ' 79' ' ' LEU . 10.2 p30 -65.44 -32.25 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.745 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -51.1 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.54 71.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 75' ' ' LEU . 64.3 tp -65.27 -54.34 30.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.751 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.729 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -59.08 -36.8 75.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -76.86 -26.89 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.786 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.86 -26.87 38.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.317 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 61' ' ' ARG . 27.8 m -53.25 -30.13 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.253 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.05 -29.89 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.81 18.05 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 53.62 57.27 6.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.786 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 15.2 mt-30 -110.3 36.37 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 4.3 mt -58.25 -44.06 98.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.407 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.7 Cg_exo -60.71 -29.12 87.71 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 0.0 112.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -26.2 47.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' A' ' 76' ' ' ALA . 40.2 t -56.94 -30.3 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.01 -53.03 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -48.34 75.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 60' ' ' LEU . 6.4 mt -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 72' ' ' VAL . . . -63.44 -53.21 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -40.38 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.19 -51.07 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.615 HD21 ' OD1' ' A' ' 56' ' ' ASN . 6.4 mt -58.93 -46.95 86.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.36 78.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -67.97 -36.34 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.86 -56.3 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.875 HD23 HD22 ' A' ' 17' ' ' LEU . 3.9 mt -57.38 -39.23 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -40.45 96.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.48 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 17' ' ' LEU . 27.8 mm -64.08 -48.91 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.86 89.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -60.71 -42.56 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 7.5 mt-10 -63.04 -48.44 78.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.768 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.23 82.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -30.05 68.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.22 94.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.403 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 10.1 m95 -59.84 -34.07 72.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -59.43 134.26 56.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.691 HD23 ' O ' ' A' ' 95' ' ' LEU . 1.7 tt 60.61 41.24 15.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -157.74 27.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.78 110.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.824 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.783 0.325 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.97 132.85 39.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -77.86 -25.89 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.7 -56.88 15.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.445 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 6' ' ' LEU . 4.6 pp -56.82 -29.78 63.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.051 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.2 mt -78.16 -35.09 49.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -71.96 -41.57 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.68 -30.65 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -54.83 7.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.055 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 11' ' ' GLU . 4.1 pp -59.51 -31.12 69.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.625 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -75.59 -48.18 23.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.71 94.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.714 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.52 -47.0 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 111.035 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.998 HD11 ' HB1' ' A' ' 53' ' ' ALA . 7.0 tt -57.28 -44.45 84.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.18 -52.18 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.301 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -60.98 -38.57 86.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -38.05 64.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.209 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.735 ' HG2' HD13 ' A' ' 50' ' ' LEU . 3.1 tmt_? -69.62 -37.3 76.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.18 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.19 -28.42 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.2 -45.42 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.05 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.35 13.79 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.277 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.654 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -56.24 -50.65 86.3 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.483 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 98.3 Cg_endo -85.09 26.68 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.775 2.317 . . . . 0.0 113.127 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 24' ' ' VAL . 17.2 t -108.37 22.87 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 111.204 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 1.4 m -73.09 -30.76 63.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.952 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.34 -35.1 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -112.86 26.21 10.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -76.1 122.75 24.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 m -149.25 126.67 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 45' ' ' THR . 6.6 mt -102.3 143.41 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 172.68 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.42 1.99 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.572 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -95.85 21.41 8.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.734 0.302 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 28.9 p90 -62.4 135.44 57.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.99 130.04 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -63.69 -23.2 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.86 -35.41 32.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD22 ' HB1' ' A' ' 81' ' ' ALA . 73.5 mt -86.68 -30.14 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -123.09 164.87 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.29 173.08 8.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 t -67.96 -22.3 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -95.02 21.47 7.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.193 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.05 90.69 3.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.843 0.354 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -129.37 13.84 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.64 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -158.18 165.18 35.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 28' ' ' ALA . 49.6 mt -59.66 -53.85 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.521 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -62.58 -31.27 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.717 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -33.11 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -54.54 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.735 HD13 ' HG2' ' A' ' 18' ' ' ARG . 3.8 pp -60.86 -43.1 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.733 ' N ' HD12 ' A' ' 50' ' ' LEU . 7.1 t0 -63.32 -45.25 92.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.66 -39.76 85.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.657 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.998 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -61.76 -44.2 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.805 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.567 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.12 -39.07 96.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.133 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -31.68 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.652 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.84 -52.84 25.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.693 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.5 pp -62.32 -35.61 79.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.522 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.28 -47.34 84.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.94 72.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 75' ' ' LEU . 8.3 tt -67.16 -41.13 86.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.796 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -67.72 -40.6 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.728 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.87 -26.88 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -55.18 -29.32 57.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.796 HG22 ' O ' ' A' ' 61' ' ' ARG . 34.6 m -58.26 -30.68 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -28.85 63.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -96.26 21.29 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 54.4 37.9 28.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.564 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 16.1 mt-30 -97.6 37.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.7 mt -55.62 -44.67 99.77 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.8 Cg_exo -58.49 -29.9 90.08 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.325 2.016 . . . . 0.0 112.239 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -29.76 53.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.517 HG13 ' CG ' ' A' ' 60' ' ' LEU . 28.4 t -57.9 -30.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.83 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -50.72 42.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.779 ' HB2' HD12 ' A' ' 60' ' ' LEU . 5.3 mt -59.88 -40.23 88.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.96 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.8 -35.61 76.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -68.32 -43.16 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.04 -47.18 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -67.09 -32.63 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.569 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -65.92 -50.11 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.672 HD21 ' CB ' ' A' ' 14' ' ' LEU . 11.2 mt -65.51 -47.08 77.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -37.16 76.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.2 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.455 HD11 ' OE1' ' A' ' 82' ' ' GLN . 8.4 mt -68.86 -48.87 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.16 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.95 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 11.4 mt-10 -64.78 -49.68 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.96 -50.57 73.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.1 m -65.69 -30.92 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.37 -47.01 87.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 11.0 m95 -58.73 -26.75 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.95 166.58 0.73 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 60.72 34.54 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.796 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -176.85 38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 63.21 102.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.5 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.06 176.51 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -60.42 -34.8 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.31 97.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.39 -32.03 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.44 -50.06 66.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -43.95 90.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -41.53 98.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -72.11 -47.46 51.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -62.04 -53.14 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.32 -32.56 70.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 16' ' ' THR . . . -69.05 -41.42 81.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.653 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 83' ' ' LEU . 17.6 mm-40 -76.28 -50.67 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.06 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.905 HD11 ' HB1' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -57.99 -33.93 69.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.34 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 17' ' ' LEU . 11.4 t -64.21 -47.56 79.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.263 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' HG23 ' A' ' 16' ' ' THR . 4.8 tp -61.36 -46.63 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.762 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 2.0 ttp180 -65.91 -26.55 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -59.78 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.31 -33.84 63.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.621 ' O ' HG22 ' A' ' 24' ' ' VAL . 1.8 t -91.81 13.86 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.557 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.843 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.31 -61.78 4.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-O 120.63 0.253 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.4 Cg_endo -78.53 59.77 7.31 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.561 2.174 . . . . 0.0 112.541 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.648 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 34.8 m -122.55 18.65 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.467 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 m -64.34 -26.21 68.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -78.27 -35.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.159 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.19 26.2 10.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -82.76 123.93 29.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.212 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 m -149.29 135.74 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 44' ' ' THR . 8.8 mt -104.4 149.33 25.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 t -62.79 175.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.19 -2.36 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.555 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.94 21.35 8.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -62.13 126.65 28.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.04 130.04 53.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -67.06 -25.91 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -37.27 40.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.9 -31.09 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.014 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HZ ' ' HB1' ' A' ' 85' ' ' ALA . 27.3 m-85 -114.4 150.49 34.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.33 168.74 19.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.5 p -59.56 -39.26 83.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -75.04 -20.93 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 83.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.569 ' C ' HD12 ' A' ' 30' ' ' LEU . 73.4 p -111.67 -26.77 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.03 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -133.9 -179.7 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 28' ' ' ALA . 45.0 mt -59.23 -49.92 76.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.045 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -57.35 -31.83 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.914 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.36 -39.72 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -45.86 89.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.739 HD13 ' HA ' ' A' ' 18' ' ' ARG . 15.5 mt -64.67 -48.48 74.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.86 -39.81 82.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -42.45 99.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.905 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -60.18 -43.75 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.33 -41.95 99.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.337 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -69.71 -31.24 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.88 -51.08 24.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.1 pp -66.24 -44.9 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.73 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -61.74 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -61.32 -28.84 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.805 HD11 HG13 ' A' ' 72' ' ' VAL . 3.6 tp -69.4 -43.86 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.804 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -63.05 -45.08 93.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -76.9 -26.8 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 59' ' ' ALA . . . -56.07 -31.61 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.483 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.8 m -56.42 -30.1 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.302 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.65 -25.25 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -100.41 21.33 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 54.46 51.84 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.543 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -97.16 37.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 1.5 mt -52.8 -52.39 65.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.498 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 35.2 Cg_endo -64.73 -24.45 61.99 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.378 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -26.98 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.805 HG13 HD11 ' A' ' 60' ' ' LEU . 23.0 t -55.73 -31.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.61 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -49.91 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.593 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -59.4 -31.56 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.5 -53.46 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.51 -35.89 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -64.99 -42.07 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 57' ' ' LEU . 15.1 mt -67.65 -46.75 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.28 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.18 98.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -55.8 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.0 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -53.66 -48.54 69.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -47.85 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB1' ' HZ ' ' A' ' 39' ' ' PHE . . . -57.99 -43.02 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.9 -48.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.47 66.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -52.5 13.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.19 -46.99 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.54 77.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -67.83 -30.1 69.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.58 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -59.3 -31.12 68.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -64.88 -19.91 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 mt -98.34 29.93 3.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.03 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.49 37.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.19 164.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.861 0.362 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 144.43 44.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.7 ' O ' HD12 ' A' ' 7' ' ' LEU . 68.7 p -62.1 -41.51 98.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.26 94.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -46.4 89.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.42 -38.12 68.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 3' ' ' THR . 0.5 OUTLIER -68.09 -30.3 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -55.96 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -58.71 -42.74 89.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' HB3' HD13 ' A' ' 83' ' ' LEU . 5.7 mp -59.78 -53.07 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.023 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.21 -40.73 95.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.77 -44.72 79.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.652 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.03 -42.23 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' A' ' 83' ' ' LEU . 32.2 tp -61.71 -41.97 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -52.22 62.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.228 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.7 m -65.13 -42.88 93.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.69 -43.08 85.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.821 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 41.5 ttt180 -68.2 -26.04 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.63 -57.76 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -41.22 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.471 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -89.04 13.89 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.62 -179.633 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 18' ' ' ARG . . . -61.49 -60.95 8.87 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 111.253 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 66.7 Cg_endo -73.78 62.84 4.79 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.605 2.203 . . . . 0.0 112.481 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 21' ' ' CYS . 30.4 m -121.96 15.36 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.4 p -62.25 -41.68 98.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -32.79 70.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.81 26.22 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB1' ' HB ' ' A' ' 45' ' ' THR . . . -76.67 125.23 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.292 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -149.33 133.28 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 44' ' ' THR . 9.4 mt -108.13 149.1 28.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 169.84 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -6.22 56.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.641 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -95.28 21.39 8.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.69 0.281 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -59.88 142.61 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.55 130.06 56.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.675 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -68.86 -23.4 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -74.53 -33.51 62.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.213 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.449 HD22 ' HB1' ' A' ' 81' ' ' ALA . 73.4 mt -97.43 -29.95 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.203 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.447 ' CZ ' ' CB ' ' A' ' 85' ' ' ALA . 10.3 m-85 -113.49 165.03 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.41 164.92 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -63.08 -30.75 71.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -20.8 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.541 ' HB2' ' OE2' ' A' ' 52' ' ' GLU . . . -55.45 89.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.581 ' C ' HD12 ' A' ' 30' ' ' LEU . 50.6 p -113.74 -30.23 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 31.3 p -144.33 -179.64 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.19 -55.4 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.735 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -57.45 -44.44 84.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.7 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -68.34 -39.82 81.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.67 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -72.46 -34.08 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.02 -49.78 41.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.669 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.541 ' OE2' ' HB2' ' A' ' 43' ' ' ALA . 12.5 pt-20 -61.23 -47.04 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.636 ' HB2' ' NE2' ' A' ' 82' ' ' GLN . . . -60.15 -44.07 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -63.34 -30.32 77.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.205 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -34.68 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.634 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -66.2 -49.42 67.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.5 pp -65.71 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.79 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.872 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -70.02 -29.06 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 75' ' ' LEU . 6.6 tt -68.7 -37.14 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.779 ' O ' HG22 ' A' ' 64' ' ' VAL . 10.6 ttt85 -74.49 -40.72 61.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -76.92 -26.81 54.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 68' ' ' GLN . . . -54.26 -29.21 46.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.8 m -57.73 -31.08 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.157 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.98 -28.42 60.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.64 21.23 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.247 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 54.08 59.49 4.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 111.029 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.456 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -125.67 32.44 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 8.4 mp -55.29 -50.66 85.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 50.7 Cg_exo -53.13 -30.8 51.87 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.381 2.054 . . . . 0.0 112.234 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -23.8 51.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.49 -32.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.15 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -65.34 -52.01 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.446 ' CB ' HD12 ' A' ' 60' ' ' LEU . 1.1 mt -59.61 -36.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -48.18 82.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.74 -42.63 93.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -61.71 -38.26 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.607 HD11 ' HA ' ' A' ' 57' ' ' LEU . 14.1 mt -63.17 -44.78 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.01 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -62.37 -38.79 90.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.636 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -61.81 -45.99 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.7 -43.1 94.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -59.1 -42.19 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.55 -42.49 95.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.2 mt -66.6 -49.29 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.56 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -66.18 -48.92 69.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 25.6 mt-10 -66.55 -41.44 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.92 -54.77 40.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.248 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -65.71 -29.06 69.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.83 95.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.26 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 11.1 m95 -58.45 -31.32 67.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.6 p -95.68 153.2 17.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.08 28.23 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -166.53 32.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.16 116.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 6.9 t90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.882 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mptt 60.13 97.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -28.94 62.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.18 -30.65 66.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.78 -42.88 76.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.6 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 mm? -59.92 -42.63 94.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -50.26 57.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -38.98 82.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -77.21 -36.18 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -62.54 -53.07 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -59.51 -43.68 93.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.13 -49.14 68.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.54 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.03 -39.01 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -40.14 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -52.25 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -70.29 -41.04 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 86' ' ' ILE . 4.5 tp -62.73 -60.05 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -59.67 -30.44 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -55.92 23.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.604 HH12 HD12 ' A' ' 17' ' ' LEU . 2.9 ptt85 -75.63 -29.93 59.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.6 m -93.84 13.74 21.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.32 -56.59 12.46 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.746 0.308 . . . . 0.0 111.035 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 93.5 Cg_endo -83.75 48.43 2.59 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.792 2.328 . . . . 0.0 112.614 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 24' ' ' VAL . 21.2 t -122.6 5.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 p -62.04 -35.36 78.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.29 -34.72 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -115.58 26.17 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -85.61 126.86 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.437 ' HA ' HG22 ' A' ' 45' ' ' THR . 2.6 m -148.65 135.8 20.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.49 146.52 24.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.83 176.2 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.77 -2.2 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -96.19 21.35 9.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -61.53 137.73 58.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -115.6 130.02 56.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -26.74 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -30.8 53.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.77 HD22 ' HB1' ' A' ' 81' ' ' ALA . 34.8 mt -91.67 -32.37 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.8 152.4 32.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' OE1' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -79.35 164.15 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.472 HG22 ' OE1' ' A' ' 40' ' ' GLN . 10.3 t -63.26 -23.67 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -95.17 21.48 7.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.209 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . . . -117.34 103.96 10.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 45' ' ' THR . 0.9 OUTLIER -129.28 13.81 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' THR . 2.0 p -163.5 171.81 15.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.35 -50.62 73.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.427 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.793 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.54 ' HB1' ' HA ' ' A' ' 43' ' ' ALA . . . -65.58 -36.35 83.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.58 -43.5 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 47' ' ' GLN . 17.5 mt -61.35 -48.34 81.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.72 -42.85 99.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.61 -41.71 98.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.25 93.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.19 -36.76 93.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.427 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.46 -31.63 62.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -65.78 -52.8 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.9 pp -65.96 -38.39 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -63.73 -51.19 66.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.69 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.903 HD11 HG22 ' A' ' 72' ' ' VAL . 29.9 tp -73.58 -41.44 62.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.767 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -58.84 -44.2 90.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -76.91 -27.76 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.96 64.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.458 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.4 m -55.54 -30.25 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.259 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.38 21.3 11.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 57.39 56.83 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.32 37.32 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.3 mt -60.62 -45.12 97.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.29 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.7 Cg_exo -58.8 -28.42 86.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.296 1.997 . . . . 0.0 112.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -23.85 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.903 HG22 HD11 ' A' ' 60' ' ' LEU . 48.5 t -57.75 -29.02 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.154 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.256 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -51.94 25.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -57.93 -41.77 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.27 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.17 87.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.97 -44.59 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.04 -39.53 92.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.46 -51.99 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -58.26 -34.5 70.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -65.31 -55.63 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -62.83 -31.39 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.16 -41.6 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.92 -37.6 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.703 HG21 HD21 ' A' ' 17' ' ' LEU . 12.1 mt -69.12 -41.76 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.41 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.31 -50.55 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.31 -52.16 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.02 91.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.8 m -59.81 -32.37 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.58 -60.3 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -60.84 -28.98 69.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.2 p -68.34 161.64 26.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mt 61.7 18.51 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -178.82 33.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.689 0.281 . . . . 0.0 111.11 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 59.45 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.013 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' ARG . 75.3 m95 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 mtm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.834 0.349 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm 61.37 168.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.1 p -73.24 -15.3 61.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.98 -26.37 59.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.717 0.294 . . . . 0.0 111.351 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.92 -53.51 6.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.041 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.7 -24.88 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -70.45 -50.55 37.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.48 -29.5 66.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -77.28 -47.15 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.27 -48.4 81.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.41 -43.28 86.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.29 -43.66 98.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.55 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -69.35 -48.74 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 14' ' ' LEU . 2.0 tm? -57.53 -39.88 77.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.14 -52.23 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 m -65.11 -33.87 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.59 -43.33 59.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.712 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.18 -30.22 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.45 -36.51 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.2 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.3 -32.17 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.193 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.581 ' O ' HG22 ' A' ' 24' ' ' VAL . 49.5 m -101.24 13.81 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.48 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -55.49 -60.0 9.67 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.647 0.261 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 87.6 Cg_endo -81.36 63.66 8.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.724 2.282 . . . . 0.0 112.448 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.724 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 34.1 m -121.34 19.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.519 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -63.87 -26.95 68.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -79.21 -48.87 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.49 26.17 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -82.61 122.67 28.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.127 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -149.4 125.59 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 45' ' ' THR . 7.4 mt -106.63 143.52 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -71.26 157.63 37.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.96 -2.95 57.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.595 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -95.99 21.39 8.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -64.98 154.88 36.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' HD12 ' A' ' 38' ' ' LEU . 8.3 m-20 -103.47 130.1 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -69.07 -24.62 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -88.63 -27.13 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.285 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD22 ' HB1' ' A' ' 81' ' ' ALA . 13.9 mt -93.13 -27.0 17.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.232 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -112.99 164.92 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -84.91 174.06 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.44 HG23 ' HG2' ' A' ' 42' ' ' ARG . 10.3 t -78.24 -21.92 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.557 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 8.0 mmt180 -94.8 21.44 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.08 93.54 7.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.2 p -109.43 -31.17 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.481 ' N ' HD12 ' A' ' 30' ' ' LEU . 16.6 p -146.11 178.67 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 28' ' ' ALA . 65.1 mt -57.24 -41.05 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.51 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -64.52 -30.71 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 42' ' ' ARG . . . -77.77 -40.48 40.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -42.86 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' A' ' 18' ' ' ARG . 9.9 tp -66.31 -47.2 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.649 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.84 -39.56 94.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.22 -42.14 96.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -60.21 -43.79 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.83 99.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.3 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -32.45 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.717 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -64.59 -53.44 47.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.4 pp -64.8 -36.46 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.72 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.33 -47.36 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -34.82 78.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 75' ' ' LEU . 32.7 tp -64.42 -44.97 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.755 ' O ' HG22 ' A' ' 64' ' ' VAL . 8.7 mtp180 -62.7 -40.33 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.85 -26.87 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.51 -29.01 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.369 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 61' ' ' ARG . 31.1 m -54.76 -26.47 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -63.0 -28.74 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.72 14.6 28.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.23 59.76 2.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.749 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.4 mp0 -95.35 37.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.916 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -49.47 -52.15 52.28 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.722 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 33.1 Cg_endo -64.46 -41.83 18.91 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.173 1.915 . . . . 0.0 112.393 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.26 -26.88 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 68' ' ' GLN . 24.4 t -57.08 -29.25 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.183 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -53.11 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -66.99 -46.87 73.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 60' ' ' LEU . 4.3 mt -59.87 -39.38 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.45 -38.15 83.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -45.12 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -38.68 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.39 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -60.05 -42.43 94.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' A' ' 53' ' ' ALA . 9.2 tt0 -65.51 -48.93 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.546 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -59.82 -35.21 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.47 -46.75 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mt -63.76 -46.37 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.61 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -69.31 -46.41 67.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -45.8 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.69 94.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.9 m -72.56 -31.05 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.82 -60.12 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -59.74 -29.84 68.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -69.02 159.83 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tp 60.84 37.35 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -160.03 29.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 58.91 43.79 17.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.84 0.352 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -176.43 37.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.7 p -65.87 -28.33 68.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.42 -22.35 44.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.392 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.6 -46.21 19.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.241 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 7' ' ' LEU . 3.7 pp -58.75 -39.35 80.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.166 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 8' ' ' GLU . 3.8 pp -76.67 -35.9 57.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.983 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.596 ' N ' HD12 ' A' ' 7' ' ' LEU . 6.0 mm-40 -63.73 -44.02 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -37.11 64.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -59.33 -52.9 63.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.878 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.64 -38.87 73.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.66 -48.89 81.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.564 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.66 -40.33 92.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.643 HD23 ' HG ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -64.22 -46.48 83.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.7 90.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.0 m -71.24 -50.02 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.02 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -34.9 79.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.674 ' HA ' HD11 ' A' ' 50' ' ' LEU . 17.6 ttt180 -67.37 -43.99 80.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -37.27 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -39.0 61.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.18 13.63 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.92 -55.74 35.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 97.0 Cg_endo -84.32 44.89 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.811 2.34 . . . . 0.0 112.773 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.648 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 15.0 t -122.67 22.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.314 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -31.4 68.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -71.06 -30.7 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -119.49 26.17 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -83.18 124.57 30.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -149.24 131.73 15.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 30' ' ' LEU . 12.9 mt -108.66 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 161.81 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.21 1.86 42.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.553 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -98.82 21.34 11.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.664 0.269 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -60.03 145.88 44.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -116.34 128.68 55.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -20.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -35.57 57.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.21 -29.91 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.08 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -117.75 164.93 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 174.55 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t -65.9 -27.13 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.563 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 27.5 mtt85 -88.95 9.49 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.37 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.74 88.32 4.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.801 0.334 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.04 -31.84 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.543 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 26.5 p -137.31 -179.71 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 28' ' ' ALA . 27.6 mt -58.58 -53.4 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -30.46 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' A' ' 42' ' ' ARG . . . -70.6 -53.7 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -65.14 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 18' ' ' ARG . 18.7 tp -64.65 -46.85 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.662 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.767 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.99 -42.81 99.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.66 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.9 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.02 97.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.339 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -41.5 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.787 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -66.31 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -50.62 67.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.74 87.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -64.1 -34.25 77.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.672 HD11 HG13 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -69.25 -40.09 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.793 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.717 ' O ' HG22 ' A' ' 64' ' ' VAL . 13.5 ttm180 -62.03 -48.11 81.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -76.86 -26.89 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 59' ' ' ALA . . . -54.72 -26.87 36.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.319 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.0 m -53.39 -30.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.289 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.66 -29.03 61.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -76.35 -5.82 48.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.426 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 61.34 38.18 16.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CD ' ' HB1' ' A' ' 63' ' ' ALA . 4.1 pt20 -100.95 37.51 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.6 mm? -44.88 -50.49 25.42 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.463 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 52.0 Cg_exo -52.42 -34.83 63.01 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.38 2.054 . . . . 0.0 112.223 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.464 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.7 mp0 -78.24 -26.61 47.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.995 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.672 HG13 HD11 ' A' ' 60' ' ' LEU . 52.4 t -55.63 -32.11 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.93 98.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -67.78 -46.3 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 71' ' ' GLN . 4.5 mp -60.82 -41.46 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.767 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.67 96.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -42.26 97.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -41.4 87.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.714 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.22 -44.93 82.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.51 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.79 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -49.63 74.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.643 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -59.89 -43.88 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.14 -37.62 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.91 97.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.8 mt -64.98 -43.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.28 91.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.3 78.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.7 OUTLIER -66.89 -48.58 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 93' ' ' TRP . . . -57.72 -42.2 83.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.5 p -76.04 -29.95 58.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.28 99.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.426 ' CD1' ' HA ' ' A' ' 90' ' ' ALA . 7.9 m95 -59.65 -32.8 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t 60.63 105.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.56 57.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.771 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -159.32 52.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.784 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.08 -18.96 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.218 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.819 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm 62.52 118.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -59.91 -25.9 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.25 -31.25 63.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.2 -41.73 98.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.1 mt -78.0 -31.28 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.65 -52.33 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -30.97 69.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -49.05 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.3 -51.31 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.16 -38.36 90.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.69 -42.7 99.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.62 -49.83 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -61.03 -35.06 75.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.36 -44.58 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.551 HG22 ' HD2' ' A' ' 20' ' ' ARG . 2.8 m -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -36.74 74.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -31.07 58.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -45.12 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HD2' HG22 ' A' ' 16' ' ' THR . 14.9 mtt85 -74.06 -35.28 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.3 t -92.77 13.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -61.01 -56.97 29.73 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 93.2 Cg_endo -83.18 47.73 2.49 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.739 2.292 . . . . 0.0 112.739 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.3 t -122.62 10.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.551 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -61.28 -45.55 94.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.072 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.75 -42.26 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -100.79 26.24 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.692 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -89.97 124.5 34.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -149.13 136.04 19.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.717 HD11 ' SG ' ' A' ' 49' ' ' CYS . 13.8 mt -109.06 149.28 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -68.88 163.74 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.48 -5.75 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.569 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 21.46 8.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.674 0.274 . . . . 0.0 111.167 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -62.73 154.15 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.54 128.01 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -68.1 -22.57 64.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.95 -28.33 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 82' ' ' GLN . 11.2 m-85 -114.74 162.26 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -86.37 170.67 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 m -68.27 -30.92 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -79.12 -20.97 47.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.602 ' HB1' ' SG ' ' A' ' 49' ' ' CYS . . . -60.13 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.359 . . . . 0.0 111.055 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 45' ' ' THR . 2.6 t -111.59 -25.56 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 44' ' ' THR . 10.6 p -138.55 173.3 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 28' ' ' ALA . 18.7 mt -55.37 -55.11 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.15 -35.95 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -60.96 -43.14 99.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.717 ' SG ' HD11 ' A' ' 30' ' ' LEU . 35.6 m -66.2 -38.15 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.761 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 21' ' ' CYS . 93.3 mt -60.64 -46.72 89.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.702 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -44.63 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 -41.5 97.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.631 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -63.36 -43.86 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.61 96.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.287 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -36.75 78.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -64.46 -33.64 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.728 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' LEU . 1.9 tp -75.11 -44.05 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.515 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.89 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -78.22 -31.62 49.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 75' ' ' LEU . 7.4 tt -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.785 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.776 ' O ' HG22 ' A' ' 64' ' ' VAL . 19.3 ttt85 -75.72 -40.76 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -76.93 -26.87 54.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -54.3 -29.67 48.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.7 m -56.93 -29.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.228 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -68.92 -30.45 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.81 21.32 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.211 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.568 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 4.3 mt-30 -97.54 37.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mt -55.76 -44.49 99.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.375 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 33.8 Cg_exo -59.76 -31.4 94.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.038 . . . . 0.0 112.149 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -27.05 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.7 t -57.55 -31.61 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.78 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -45.68 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.801 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CB ' HD12 ' A' ' 60' ' ' LEU . 11.8 mt -62.8 -38.79 92.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.9 -51.02 71.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.72 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.19 -46.68 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mt -60.77 -49.63 76.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.806 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.11 86.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.09 98.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.459 HE21 ' HB2' ' A' ' 53' ' ' ALA . 3.5 tt0 -66.06 -50.48 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -39.67 72.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.64 -30.9 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.29 73.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.37 -46.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.13 83.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -68.68 -53.91 19.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -51.38 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.0 75.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -69.72 -32.34 70.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.721 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.72 -60.67 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -61.06 -25.41 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.9 93.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.081 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.37 29.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -177.82 38.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.68 86.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -41.28 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 83' ' ' LEU . 2.4 tt -59.75 -37.11 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -46.73 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -62.69 -50.88 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.57 -44.95 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.5 -29.99 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.029 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.83 -48.85 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -70.02 -34.03 72.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG22 ' A' ' 24' ' ' VAL . 87.0 m -98.72 13.79 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.312 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -60.34 -61.45 7.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.668 0.271 . . . . 0.0 111.147 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 73.8 Cg_endo -75.51 60.1 5.71 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.548 2.165 . . . . 0.0 112.485 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 21' ' ' CYS . 34.6 m -119.31 -11.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.747 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.2 p -59.95 -21.85 61.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.432 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.4 -42.0 68.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.762 0.315 . . . . 0.0 111.329 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 26.26 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.158 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.91 122.6 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -149.4 126.03 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 44' ' ' THR . 8.2 mt -100.73 136.24 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.5 p -59.9 176.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.11 1.84 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.575 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -97.31 21.34 10.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.41 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 10.6 p90 -63.04 145.0 56.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.046 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.01 130.05 53.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' NH2' ' CD1' ' A' ' 34' ' ' PHE . 10.9 mmp_? -65.81 -22.29 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -76.44 -44.37 36.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.187 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.608 HD22 ' HB1' ' A' ' 81' ' ' ALA . 69.8 mt -84.29 -31.07 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 34.1 m-85 -115.06 152.19 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.11 170.91 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.5 m -64.0 -36.42 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.14 -20.91 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 87.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.496 ' C ' HD12 ' A' ' 30' ' ' LEU . 10.0 t -110.67 -27.89 8.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.472 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 69.8 p -138.84 175.04 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.6 -54.95 40.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -57.14 -35.76 69.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.472 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -67.72 -34.85 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.94 -48.57 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.744 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.02 -40.44 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.34 -49.03 75.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.759 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.31 -41.67 89.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.13 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.553 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -63.91 -38.2 95.75 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.317 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.6 -31.88 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.18 -54.14 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.7 pp -59.88 -37.99 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -59.69 -54.85 41.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.4 81.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.663 HD11 HG13 ' A' ' 72' ' ' VAL . 15.3 tp -65.16 -31.65 72.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.786 ' O ' HG22 ' A' ' 64' ' ' VAL . 34.0 mtp180 -72.2 -44.25 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.93 -27.84 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -58.5 -28.21 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 61' ' ' ARG . 31.7 m -56.1 -29.52 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.329 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.56 -29.18 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 14.09 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 54.52 48.32 20.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.908 0.385 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 41.1 mt-30 -97.24 37.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.7 mm? -52.4 -49.37 85.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.349 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 55.8 Cg_exo -51.61 -33.05 46.93 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.353 2.036 . . . . 0.0 112.283 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 75' ' ' LEU . 4.2 mt-30 -78.02 -24.76 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.663 HG13 HD11 ' A' ' 60' ' ' LEU . 61.2 t -58.68 -29.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.069 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.96 -52.78 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -48.54 67.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -60.13 -33.8 72.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.96 -44.54 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.81 -43.9 97.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.52 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.05 94.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.608 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -65.99 -37.42 85.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.44 -52.23 66.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -62.5 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.38 -41.34 69.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.626 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.02 -43.24 96.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.3 mt -65.97 -44.22 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.048 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -50.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -61.42 -48.11 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -74.01 -51.13 16.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.786 HD11 ' HB1' ' A' ' 53' ' ' ALA . 6.4 tt -60.7 -35.55 76.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.026 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.89 -52.22 38.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 m -63.1 -50.24 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -58.97 -51.19 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.065 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -62.27 -26.12 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.41 -43.39 32.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.079 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -29.61 45.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.052 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.76 13.88 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.359 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.33 -54.79 45.9 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.212 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.759 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.9 Cg_endo -84.8 44.66 1.51 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.792 2.328 . . . . 0.0 112.792 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 24' ' ' VAL . 15.3 t -122.7 22.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.206 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.0 p -66.86 -32.39 73.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.059 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.31 -29.85 60.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.22 26.16 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.672 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -86.57 127.6 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.201 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -149.21 125.51 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.578 HD12 ' C ' ' A' ' 44' ' ' THR . 10.7 mt -97.65 135.52 39.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 p -61.72 175.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.39 1.94 49.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.538 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -96.85 21.42 9.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.642 0.258 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -62.59 149.01 44.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 123.96 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -63.4 -27.53 69.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -34.92 30.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.048 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.481 HD22 ' HB1' ' A' ' 81' ' ' ALA . 70.3 mt -81.45 -31.17 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.31 160.71 19.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.36 170.72 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -63.89 -23.37 67.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.574 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -94.51 21.44 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.212 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.29 89.47 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.578 ' C ' HD12 ' A' ' 30' ' ' LEU . 5.0 t -109.97 -26.95 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.577 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 74.5 p -138.44 178.72 6.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 28' ' ' ALA . 21.2 mt -58.24 -47.8 82.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.91 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -70.29 -53.75 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.4 -39.01 91.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.52 -45.58 92.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -42.92 99.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.95 -38.42 85.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.786 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.28 -38.29 95.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.284 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.6 -33.28 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.677 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.85 -54.18 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.667 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.4 pp -63.92 -35.55 81.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.782 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.478 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.49 -54.85 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.47 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.679 HD12 ' CB ' ' A' ' 75' ' ' LEU . 7.3 tt -67.13 -39.88 86.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.692 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.847 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -69.31 -36.39 76.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.689 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -76.99 -27.57 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -56.15 -37.73 69.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.39 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 61' ' ' ARG . 32.0 m -56.22 -29.56 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.19 -30.59 70.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -101.03 21.36 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 58.74 55.31 4.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 53.7 mt-30 -109.82 37.38 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 80.5 mt -50.97 -54.36 38.2 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.67 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 19.8 Cg_endo -58.55 -26.23 77.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.278 1.986 . . . . 0.0 112.44 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -30.56 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.828 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 68' ' ' GLN . 42.1 t -58.47 -31.66 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.65 93.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.31 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.679 ' CB ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -59.19 -33.59 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.27 77.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -62.26 -44.5 96.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -62.27 -36.87 83.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.49 -48.96 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.89 82.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -64.76 -47.87 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.86 -45.78 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.541 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -60.51 -46.77 88.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.77 -41.94 87.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.95 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 83' ' ' LEU . 6.0 mt -65.42 -43.35 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.88 78.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -53.76 50.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.21 -42.83 99.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -67.35 -46.34 73.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.493 HD11 HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.78 -44.89 93.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -67.6 -40.85 84.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.83 HD21 HG21 ' A' ' 86' ' ' ILE . 1.1 tp -64.41 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.82 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.12 -31.27 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.124 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.48 -42.75 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.314 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -40.81 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.595 ' O ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -90.59 13.7 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.552 -179.713 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.858 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.36 -62.35 3.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.606 0.241 . . . . 0.0 110.972 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 83.9 Cg_endo -80.74 56.4 6.07 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.156 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 21' ' ' CYS . 13.9 p -115.8 -3.93 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.716 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 p -58.34 -21.72 50.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.718 0.294 . . . . 0.0 111.188 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -71.69 -51.76 21.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.145 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CZ ' HG23 ' A' ' 24' ' ' VAL . 26.4 p90 -111.77 26.14 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.18 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -65.08 125.34 24.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.6 m -149.2 126.82 11.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 44' ' ' THR . 6.1 mt -90.79 140.67 29.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -65.98 151.94 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.36 -10.73 60.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.549 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.3 21.48 6.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.209 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -56.93 144.15 34.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -118.38 127.86 54.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -68.79 -25.85 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -77.75 -29.2 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.614 HD23 ' HB1' ' A' ' 81' ' ' ALA . 12.4 mt -93.84 -32.43 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.006 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 72.4 m-85 -119.68 160.58 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.87 167.93 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.3 t -64.74 -29.41 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -20.82 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.0 89.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.635 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -112.79 -33.88 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.9 p -137.66 172.99 12.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 24' ' ' VAL . 12.6 mt -59.6 -48.97 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.36 -40.01 85.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.77 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.992 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.14 -45.34 92.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 18' ' ' ARG . 3.4 tp -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -39.39 84.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.07 -38.27 88.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.725 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.21 90.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.67 97.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.344 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.67 -31.6 66.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -66.04 -54.83 20.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.8 pp -62.19 -37.71 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.59 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.37 -37.55 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -73.97 -34.05 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' A' ' 75' ' ' LEU . 7.8 tt -69.49 -38.31 77.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.771 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.815 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -70.88 -42.29 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -76.97 -26.88 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -56.1 -36.14 67.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.424 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.2 m -54.07 -28.96 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.334 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -27.05 61.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -95.83 21.25 8.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 58.88 43.78 17.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.7 mt-30 -100.9 37.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 39.1 mt -55.47 -57.49 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.392 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 27.9 Cg_endo -62.51 -22.4 73.97 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.309 2.006 . . . . 0.0 112.395 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -27.11 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.013 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 68' ' ' GLN . 23.9 t -55.76 -26.67 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.406 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.63 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -41.96 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.773 ' HB3' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -63.52 -38.39 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.43 76.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.21 -40.78 86.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -68.13 -43.92 77.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.43 HD21 ' N ' ' A' ' 57' ' ' LEU . 1.2 mt -60.41 -52.58 64.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.84 -48.92 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.614 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -58.77 -45.64 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.45 -52.64 64.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -59.23 -44.81 92.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.22 -43.16 99.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -62.85 -45.66 91.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.83 HG21 HD21 ' A' ' 17' ' ' LEU . 7.0 mt -62.65 -44.86 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -46.43 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.84 -54.9 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -66.67 -43.85 83.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.679 HD11 ' HB1' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -68.52 -28.98 67.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.01 57.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 17' ' ' LEU . 12.9 t -68.21 -44.98 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.038 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -58.41 -54.18 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.219 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 7.6 ptm180 -63.93 -30.33 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.084 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -66.93 -42.51 85.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -38.63 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.2 m -93.26 13.75 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.0 -57.83 21.43 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.684 0.278 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 87.0 Cg_endo -81.43 52.05 4.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.723 2.282 . . . . 0.0 112.666 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.709 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 15.8 t -122.6 16.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.373 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -29.24 68.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -65.47 -41.07 93.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.93 26.26 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.1 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.3 141.64 24.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 m -61.69 176.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.24 1.97 38.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.642 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -89.52 9.41 26.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.623 0.249 . . . . 0.0 111.376 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -65.27 143.2 57.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.64 118.89 32.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.61 HH12 HG23 ' A' ' 41' ' ' THR . 49.3 mtt-85 -59.13 -19.65 46.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.383 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -74.14 -43.39 57.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.39 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -94.79 -17.91 21.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.535 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -112.86 159.32 19.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.974 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.64 168.1 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.61 HG23 HH12 ' A' ' 36' ' ' ARG . 39.5 m -70.65 -31.82 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.62 -10.75 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.357 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.18 90.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -113.05 -33.18 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 p -136.3 170.2 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -57.79 -53.96 52.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -42.5 79.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.87 76.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -43.84 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.764 HD21 HD23 ' A' ' 17' ' ' LEU . 48.9 mt -60.12 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.04 -37.75 83.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.708 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.44 -42.32 87.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -45.92 95.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.275 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.17 -37.68 83.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.61 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.481 ' HB2' HD21 ' A' ' 79' ' ' LEU . 65.6 m-20 -65.56 -38.02 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 14' ' ' LEU . 5.7 mt -62.64 -47.29 84.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.722 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.46 79.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.01 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.888 HD11 HG13 ' A' ' 72' ' ' VAL . 14.6 tp -68.54 -47.62 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.721 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.778 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -60.88 -42.26 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.78 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -76.96 -26.81 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -53.91 -28.57 37.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.369 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 61' ' ' ARG . 32.3 m -57.35 -29.8 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.44 -30.7 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -96.93 21.1 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 54.59 45.94 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.91 0.386 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.659 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 25.3 mt-30 -97.27 37.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.489 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -58.54 -48.03 97.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.177 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.489 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 28.2 Cg_exo -61.73 -31.99 86.24 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.357 2.038 . . . . 0.0 112.178 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -26.05 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.888 HG13 HD11 ' A' ' 60' ' ' LEU . 42.9 t -53.22 -28.16 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.8 87.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -43.42 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 60' ' ' LEU . 3.8 mt -66.65 -33.75 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.87 -54.22 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.57 -34.7 74.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -73.12 -50.11 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 56' ' ' ASN . 13.2 mt -59.4 -44.11 92.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.95 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.32 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.48 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -66.9 -44.35 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -52.86 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.19 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.96 -46.42 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.4 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -56.72 -50.63 71.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.288 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.29 -36.42 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -59.09 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.602 -0.199 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -66.56 -37.87 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.674 ' CD1' HD11 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.35 -48.29 78.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.011 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -63.26 -51.94 64.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -34.22 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.705 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 1.6 mmm180 -69.99 -37.27 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.049 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -37.38 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.042 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -28.81 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.03 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.618 ' CB ' HD11 ' A' ' 50' ' ' LEU . 34.5 m -108.54 13.75 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.95 -62.24 6.02 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 85.0 Cg_endo -77.5 60.63 7.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.515 2.143 . . . . 0.0 112.346 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.59 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.2 m -118.47 -9.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.754 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.13 -21.25 45.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.657 0.265 . . . . 0.0 111.389 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -51.77 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.8 26.29 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -67.18 122.8 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -149.26 125.51 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 45' ' ' THR . 10.2 mt -101.28 149.32 24.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -66.59 166.65 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -7.45 54.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 21.32 7.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -60.94 148.26 40.41 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -109.9 130.02 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -20.49 66.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.21 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -45.91 45.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.068 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.3 -30.54 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 4.1 m-85 -115.45 154.06 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.67 173.64 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -78.08 -23.23 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -94.12 19.19 9.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.52 99.43 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.6 p -121.52 0.75 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.423 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.623 ' N ' HD12 ' A' ' 30' ' ' LEU . 41.0 p -148.94 169.3 20.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.426 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -61.76 -32.67 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.01 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.619 ' SG ' HD11 ' A' ' 30' ' ' LEU . 1.5 m -64.35 -53.97 40.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.618 HD11 ' CB ' ' A' ' 21' ' ' CYS . 88.3 mt -61.71 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -64.26 -42.74 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.694 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.41 -43.33 96.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -60.94 -41.79 96.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.767 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.29 97.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.225 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.658 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.674 HD11 ' CD1' ' A' ' 14' ' ' LEU . 1.4 mt -63.01 -44.93 94.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.667 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.15 87.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.704 HD11 HG13 ' A' ' 72' ' ' VAL . 6.1 tp -62.06 -59.21 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.613 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.1 ptp85 -61.09 -29.03 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -76.93 -31.13 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.718 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.7 m -53.87 -26.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.02 -24.2 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -106.92 21.38 17.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 63.02 55.97 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.926 0.393 . . . . 0.0 111.157 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.718 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -115.83 37.32 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 6.5 mt -52.86 -57.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.478 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.7 Cg_endo -53.22 -25.78 31.4 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.372 2.048 . . . . 0.0 112.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -78.27 -29.94 48.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.704 HG13 HD11 ' A' ' 60' ' ' LEU . 24.8 t -59.1 -28.38 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.3 82.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -48.29 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.55 -33.81 75.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.32 -54.19 37.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -37.57 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -67.54 -43.13 81.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.87 -46.94 85.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.22 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.0 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -55.03 23.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -44.12 90.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.68 -30.39 71.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.645 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -67.33 -43.41 81.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 49' ' ' CYS . 35.9 mm -65.63 -46.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.11 82.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -70.83 -45.76 63.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.76 -48.34 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -42.64 86.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' HD12 ' A' ' 83' ' ' LEU . 3.0 mt -65.4 -36.84 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 m -68.52 -33.67 74.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -73.86 -33.39 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HG2' HD21 ' A' ' 50' ' ' LEU . 4.4 tmt_? -74.48 -32.66 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.023 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.08 -39.46 49.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -81.34 -40.91 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.95 13.82 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.4 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -53.53 -61.83 4.53 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.648 0.261 . . . . 0.0 111.226 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 72.4 Cg_endo -76.31 60.42 6.36 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.544 2.163 . . . . 0.0 112.214 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.0 -18.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.501 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.8 p -47.55 -28.27 2.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.747 0.308 . . . . 0.0 111.465 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.11 -51.74 68.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -119.8 26.21 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 122.77 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.25 128.72 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.563 HD12 ' C ' ' A' ' 44' ' ' THR . 26.3 mt -97.96 149.34 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -56.67 156.96 5.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.1 -1.42 52.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.571 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -96.25 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -65.26 146.45 54.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.75 121.42 38.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.659 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -63.57 -16.81 61.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.09 -31.12 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.387 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 4.6 pp -114.01 -17.71 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.606 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 1.1 m-85 -112.9 157.74 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.81 155.8 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -64.63 -34.84 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -76.54 -20.94 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.224 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 86.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.563 ' C ' HD12 ' A' ' 30' ' ' LEU . 29.6 p -112.13 -29.57 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.51 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 69.5 p -130.86 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -56.65 -41.69 77.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -70.92 -36.22 72.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.51 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -62.88 -47.7 82.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.0 p -73.17 -37.39 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 18' ' ' ARG . 14.3 tp -60.59 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -44.59 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.679 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.72 -36.71 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.43 -45.63 90.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -60.52 -42.23 99.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.267 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.8 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.8 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.31 -55.32 14.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.597 ' HA ' HD11 ' A' ' 79' ' ' LEU . 3.7 pp -61.35 -37.47 83.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.553 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.91 -45.67 81.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 72' ' ' VAL . 59.8 tp -68.08 -42.48 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.749 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.809 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -62.88 -44.56 95.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -76.89 -26.91 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.64 -31.69 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 61' ' ' ARG . 30.9 m -56.19 -30.13 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.297 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -26.87 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -95.37 21.38 8.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 59.07 59.47 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -114.36 35.84 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 7.3 mp -55.79 -61.76 5.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.216 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 11.5 Cg_endo -55.12 -23.05 34.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.529 2.153 . . . . 0.0 112.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -26.22 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.521 HG13 HD11 ' A' ' 60' ' ' LEU . 25.9 t -56.23 -26.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.334 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -48.89 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -58.61 -32.04 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.03 -49.77 47.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.02 -32.39 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.696 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -75.24 -46.86 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.765 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.597 HD11 ' HA ' ' A' ' 57' ' ' LEU . 12.5 mt -61.61 -48.1 82.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -64.64 -44.95 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.437 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.69 -50.43 73.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.39 -42.71 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -63.7 -40.89 97.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 mt -70.77 -39.7 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.93 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.88 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.27 -47.6 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.768 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.028 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.36 -41.79 76.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.979 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.749 ' HB2' HD11 ' A' ' 83' ' ' LEU . 3.9 tp -62.74 -50.28 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.23 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.288 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -61.63 -54.07 47.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.15 -29.95 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.674 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -68.0 -47.87 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.75 -38.95 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -35.9 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.586 ' HB3' HD11 ' A' ' 50' ' ' LEU . 28.1 t -106.93 13.84 27.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.395 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -61.2 -54.63 51.67 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.669 0.271 . . . . 0.0 111.243 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 84.3 Cg_endo -82.39 50.22 3.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.732 2.288 . . . . 0.0 112.838 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 24' ' ' VAL . 38.6 t -122.56 -5.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.686 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -58.4 -26.33 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.798 0.333 . . . . 0.0 111.223 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.75 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -123.16 26.24 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB1' ' H ' ' A' ' 47' ' ' GLN . . . -60.02 122.64 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -149.31 140.05 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -109.0 149.38 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.48 172.67 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.55 2.02 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.55 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.76 21.42 7.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -69.08 142.22 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.98 123.3 44.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -21.42 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -89.73 -26.31 20.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.288 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.2 -23.15 18.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.372 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 31.4 m-85 -112.94 157.61 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.048 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.424 ' HG2' ' CE1' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -81.53 174.77 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.796 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.7 p -72.72 -29.73 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.43 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.02 89.18 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -112.78 -28.17 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.428 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 68.8 p -130.66 173.35 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 28' ' ' ALA . 16.1 mt -61.94 -45.22 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.537 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 4.1 pt20 -67.09 -33.1 74.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.762 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.428 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -71.43 -33.27 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -46.57 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 21' ' ' CYS . 9.5 mt -63.2 -49.16 75.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.68 -36.89 79.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.62 -41.55 83.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.0 96.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.799 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.89 99.75 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.147 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.62 -41.62 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.615 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.68 -35.5 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.629 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.603 HD13 HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.44 -47.44 79.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.95 85.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.641 ' HG ' HG13 ' A' ' 72' ' ' VAL . 2.5 tt -65.03 -45.58 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -66.48 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.09 -30.92 55.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.729 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.631 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -65.55 -48.6 71.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 61' ' ' ARG . 19.5 m -52.83 -29.42 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.189 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.05 -30.22 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.3 21.37 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 60.3 40.49 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.631 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 10.8 mt-30 -98.65 37.47 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.735 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.8 mm? -46.04 -61.63 2.4 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.549 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.8 Cg_endo -51.15 -28.89 26.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -30.86 48.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.641 HG13 ' HG ' ' A' ' 60' ' ' LEU . 23.5 t -63.58 -33.61 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.51 94.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.492 ' CB ' HD12 ' A' ' 60' ' ' LEU . 4.6 mt -69.58 -36.49 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.39 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.54 -44.43 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 40' ' ' GLN . 5.7 t-160 -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.77 -41.58 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.9 84.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.57 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -55.47 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -60.19 -36.56 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.5 -47.15 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.642 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.75 -43.02 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.0 mt -66.02 -49.47 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -33.51 70.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -69.33 -45.86 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.38 -46.24 90.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HB3' HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -76.24 -43.78 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 14' ' ' LEU . 2.8 tt -61.03 -33.24 72.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.21 -51.9 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -63.17 -48.65 77.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD22 HG21 ' A' ' 86' ' ' ILE . 1.5 tt -60.06 -50.1 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -63.14 -35.51 80.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.31 -43.32 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -34.53 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -92.95 13.7 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -60.09 -54.5 54.65 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.4 Cg_endo -83.87 47.34 2.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.857 2.371 . . . . 0.0 112.687 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 24' ' ' VAL . 18.8 t -122.7 10.93 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.66 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 t -60.61 -31.37 70.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -72.19 -44.12 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -105.18 26.27 9.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -71.42 124.14 23.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.7 m -149.17 138.61 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 44' ' ' THR . 66.5 mt -107.68 149.26 28.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -61.04 172.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.54 -0.4 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.609 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.62 21.4 9.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.674 0.273 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -69.64 135.56 50.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -116.06 119.11 34.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -56.26 -23.27 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.289 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -69.24 -29.09 66.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.101 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 ' HB1' ' A' ' 81' ' ' ALA . 16.7 mt -107.47 -23.41 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.189 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CE2' ' HB1' ' A' ' 85' ' ' ALA . 1.8 m-85 -112.98 150.12 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 169.67 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 p -63.48 -24.77 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.34 19.55 9.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.247 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.21 75.9 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.654 ' C ' HD12 ' A' ' 30' ' ' LEU . 32.9 p -113.09 -28.35 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 p -125.73 168.05 14.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.8 mt -60.03 -55.08 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -61.67 -29.07 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.69 -53.6 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -62.27 -39.35 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 50' ' ' LEU . 6.1 mt -61.85 -46.91 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.58 -40.64 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.03 -39.61 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.545 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -62.59 -45.22 93.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.0 -37.33 93.69 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.213 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -31.93 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.84 -56.31 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.3 pp -60.52 -38.84 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.656 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.463 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.09 -46.61 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.62 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.769 HD11 HG13 ' A' ' 72' ' ' VAL . 6.4 tp -66.71 -48.48 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.73 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -60.95 -43.41 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.18 -26.88 60.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.643 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -54.3 -26.8 31.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.341 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 61' ' ' ARG . 29.0 m -52.67 -28.62 13.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.22 -30.78 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.11 -4.33 58.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.386 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 63.82 49.5 2.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.643 ' CG ' ' HB1' ' A' ' 63' ' ' ALA . 3.7 pt20 -117.32 37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.7 mm? -47.94 -50.15 55.16 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.408 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 74.5 Cg_exo -49.28 -26.5 11.53 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.404 2.07 . . . . 0.0 112.373 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.599 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -73.12 -24.24 60.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.769 HG13 HD11 ' A' ' 60' ' ' LEU . 36.3 t -54.72 -30.57 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.205 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.1 61.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -64.23 -35.02 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.718 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.27 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.51 -43.4 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -62.78 -37.25 85.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.679 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.82 -46.41 90.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.679 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.81 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.682 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -59.63 -35.15 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.545 HE21 ' HB2' ' A' ' 53' ' ' ALA . 2.2 tt0 -66.92 -41.25 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.714 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 13' ' ' GLN . 0.4 OUTLIER -59.78 -49.17 78.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.36 -36.87 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.624 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -60.24 -44.41 95.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.473 HG21 HD22 ' A' ' 17' ' ' LEU . 34.8 mt -65.46 -38.85 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.84 -31.34 70.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -47.01 67.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.72 75.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.28 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.667 ' HB2' HD11 ' A' ' 83' ' ' LEU . 6.2 tt -67.46 -38.06 83.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.76 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -65.54 -37.74 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.432 HD21 HG22 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -73.74 -39.72 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.698 ' HA ' HD21 ' A' ' 50' ' ' LEU . 5.1 ttt-85 -65.01 -33.92 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.39 -34.28 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -36.64 57.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.841 ' O ' HG22 ' A' ' 24' ' ' VAL . 7.7 m -101.23 13.8 33.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.52 -55.15 15.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.699 0.285 . . . . 0.0 111.447 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 72.0 Cg_endo -86.7 39.11 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.856 2.371 . . . . 0.0 113.315 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 21' ' ' CYS . 23.6 m -122.65 18.68 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 p -69.81 -29.3 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -70.07 -37.16 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -119.34 26.24 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -71.24 124.15 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.498 ' HA ' HG22 ' A' ' 45' ' ' THR . 4.4 t -147.67 128.96 14.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 30' ' ' LEU . 5.4 mt -94.48 149.33 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -68.86 175.82 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.68 2.07 52.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.559 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.01 21.37 6.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.689 0.281 . . . . 0.0 111.225 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -68.37 138.24 55.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.08 130.14 56.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -22.95 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.8 42.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.164 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.64 -24.08 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.366 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -112.99 164.95 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 174.7 6.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -66.66 -25.77 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.52 7.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.99 84.42 2.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 45' ' ' THR . 23.3 p -129.48 13.77 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.252 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -164.27 169.53 17.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 111.034 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.24 -55.04 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB2' ' OG1' ' A' ' 45' ' ' THR . . . -62.45 -48.47 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.776 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -65.06 -34.25 77.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 179.738 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 18' ' ' ARG . 1.7 tp -64.27 -45.74 86.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -64.24 -40.26 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.07 -40.91 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.611 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -65.67 -42.28 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.29 -37.86 94.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.202 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.09 -33.27 59.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.522 ' HB3' HD11 ' A' ' 79' ' ' LEU . 22.5 m-20 -67.85 -49.52 61.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.658 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.8 pp -67.72 -36.54 80.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -50.91 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.828 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.004 HD11 HG13 ' A' ' 72' ' ' VAL . 5.2 tp -66.98 -45.94 76.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.712 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.769 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.44 -42.14 95.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.644 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -76.83 -26.83 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.77 -29.14 53.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.382 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.7 m -56.11 -28.86 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.253 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -30.51 63.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 15.71 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 54.27 49.18 19.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.863 0.364 . . . . 0.0 111.124 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.898 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 2.7 mt-30 -98.3 37.38 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.9 mm? -53.11 -59.48 9.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.479 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 10.7 Cg_endo -54.12 -24.42 33.1 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.481 2.121 . . . . 0.0 112.373 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.01 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.004 HG13 HD11 ' A' ' 60' ' ' LEU . 25.9 t -60.76 -29.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.186 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.08 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.277 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -49.35 65.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.4 -30.31 68.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.4 -54.22 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -32.42 72.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -69.07 -47.17 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 56' ' ' ASN . 3.4 mt -65.83 -46.46 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.005 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.85 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.52 -56.58 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.457 HE21 ' HB2' ' A' ' 53' ' ' ALA . 12.8 pt20 -61.06 -45.59 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 14' ' ' LEU . 1.9 tt -57.27 -44.19 83.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.057 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -46.47 89.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.466 HD11 ' SG ' ' A' ' 49' ' ' CYS . 13.4 mt -63.41 -46.34 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.31 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.202 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -49.01 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -39.22 76.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.43 -30.42 69.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.74 -52.25 18.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -36.16 80.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -42.55 76.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 1.4 ttt180 -68.65 -25.88 65.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.66 -42.85 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -81.24 -42.12 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG13 ' A' ' 24' ' ' VAL . 75.4 m -91.39 13.86 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.503 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -57.55 -61.66 6.82 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 98.4 Cg_endo -78.7 62.7 8.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 21' ' ' CYS . 35.2 m -113.73 -21.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -51.77 -26.04 8.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.71 0.29 . . . . 0.0 111.305 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.97 -51.76 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -116.12 26.23 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 123.86 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.5 t -147.11 126.88 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 44' ' ' THR . 10.5 mt -101.73 149.27 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.14 176.44 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.47 2.02 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.66 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -84.96 5.11 30.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -59.2 136.91 58.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.54 129.98 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.786 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -67.2 -13.67 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.388 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -70.98 -39.06 72.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 111.257 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -19.46 12.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.349 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -117.36 158.38 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -96.53 163.98 12.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.2 t -63.95 -23.18 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -20.96 62.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.33 93.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.452 ' C ' HD12 ' A' ' 30' ' ' LEU . 28.7 p -106.6 -31.69 8.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 p -150.45 179.27 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.51 -39.99 77.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.742 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.37 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.1 m -62.11 -48.08 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.535 HD22 ' HG3' ' A' ' 18' ' ' ARG . 9.2 mt -64.34 -48.81 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.725 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -60.89 -36.65 79.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.25 -44.12 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.71 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.63 97.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -62.57 -39.67 98.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.248 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.82 -31.8 57.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.686 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.06 -48.82 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.2 pp -66.16 -41.18 90.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.789 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -61.77 -48.8 79.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.05 67.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' CD1' HG13 ' A' ' 72' ' ' VAL . 2.5 tp -64.57 -49.73 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.797 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -68.43 -33.84 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -76.75 -26.86 55.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.853 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -53.43 -29.51 35.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.476 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.8 m -59.13 -34.65 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.01 -24.94 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -95.14 21.39 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 56.82 38.54 29.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.904 0.383 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.853 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 75.3 mm-40 -109.08 37.38 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 71.0 mt -54.8 -56.32 28.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.404 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 20.2 Cg_endo -60.73 -26.45 83.01 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.342 2.028 . . . . 0.0 112.284 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -73.62 -28.13 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 68' ' ' GLN . 21.8 t -57.0 -29.1 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.61 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -51.44 56.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 71' ' ' GLN . 1.7 mp -59.78 -33.58 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.54 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.99 -35.7 75.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -34.83 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.61 -45.1 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.58 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.92 -32.52 73.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.62 -49.53 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.41 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.85 -47.2 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mt -64.64 -41.65 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.14 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -61.28 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.32 -49.93 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -40.54 95.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HB2' HD11 ' A' ' 83' ' ' LEU . 51.3 tp -66.49 -46.59 75.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.2 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.3 m -67.94 -40.16 83.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.6 tp -68.44 -37.23 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.69 -30.34 62.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.47 -34.78 41.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.33 -40.29 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.47 ' O ' HD22 ' A' ' 50' ' ' LEU . 70.9 m -91.94 13.73 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.401 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.83 -60.45 7.23 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.677 0.275 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 86.1 Cg_endo -80.08 53.73 4.88 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.65 2.233 . . . . 0.0 112.585 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 24' ' ' VAL . 21.3 t -122.68 5.36 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.71 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -29.25 70.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.795 0.331 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -73.59 -30.59 63.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.73 26.4 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -78.01 122.77 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.29 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.659 ' H ' HD12 ' A' ' 46' ' ' LEU . 56.0 m -149.34 125.56 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 30' ' ' LEU . 7.2 mt -98.1 148.63 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 t -78.26 176.56 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.37 2.0 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.26 21.34 7.07 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -63.96 143.07 58.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.54 127.93 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -27.05 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.97 -28.27 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.3 mt -90.89 -30.83 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 25.3 m-85 -113.1 164.92 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.008 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.4 174.75 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 p -66.44 -28.17 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.34 21.4 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.281 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.694 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . . . -110.58 96.35 6.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.044 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -128.26 3.72 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.524 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.434 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 48.7 p -156.79 176.41 12.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.08 -54.42 47.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -32.34 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 43' ' ' ALA . . . -63.51 -42.47 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.4 m -67.16 -37.78 84.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 21' ' ' CYS . 2.1 tp -63.12 -48.97 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -32.58 74.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.617 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.43 87.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.02 99.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.4 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -62.95 -39.14 97.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.334 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -32.03 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.637 ' OD1' HD23 ' A' ' 75' ' ' LEU . 3.5 m-80 -69.46 -47.41 64.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.782 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.1 pp -68.51 -39.25 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.776 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.521 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -60.9 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.2 -29.48 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.773 ' HG ' HG13 ' A' ' 72' ' ' VAL . 6.8 tt -67.83 -46.09 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.778 ' O ' HG22 ' A' ' 64' ' ' VAL . 3.5 ttt180 -67.76 -35.89 79.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.723 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.12 -30.5 55.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.77 ' HB1' ' HB3' ' A' ' 68' ' ' GLN . . . -58.6 -44.25 89.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.296 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.0 m -56.35 -28.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.207 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.502 ' OE1' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -75.03 -31.0 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.98 21.34 10.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 59.34 40.8 20.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.77 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -98.26 37.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.995 0.426 . . . . 0.0 110.713 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 5.0 mt -46.75 -54.1 21.61 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.663 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 17.6 Cg_endo -58.07 -28.01 81.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.96 . . . . 0.0 112.237 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.426 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -78.23 -31.57 49.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.773 HG13 ' HG ' ' A' ' 60' ' ' LEU . 33.0 t -60.93 -34.6 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.79 88.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -69.21 -48.6 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.637 HD23 ' OD1' ' A' ' 56' ' ' ASN . 1.3 mt -64.53 -30.52 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.21 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.22 -30.01 70.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.68 -43.2 85.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.85 92.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.78 72.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -69.46 -48.87 59.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -60.2 -43.02 96.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 83' ' ' LEU . 11.9 mt -62.77 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.44 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -54.23 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -35.09 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.088 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -70.37 -44.26 68.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -58.08 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.39 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -63.55 -37.2 86.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.75 -38.48 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.771 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -72.61 -26.02 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.27 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.112 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -81.36 -37.75 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -91.73 13.78 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.501 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.844 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -63.07 -61.82 6.72 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.844 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 78.9 Cg_endo -77.39 63.68 7.87 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.175 . . . . 0.0 112.383 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 29.9 m -120.94 -5.55 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -58.0 -25.32 60.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -62.86 -51.71 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.08 26.29 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -73.7 122.61 22.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.3 131.93 15.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 30' ' ' LEU . 13.2 mt -108.97 143.13 38.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.8 p -61.64 156.6 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.92 2.03 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.653 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 21.46 8.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 111.211 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -63.36 154.91 30.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.071 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' HB3' HD12 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -121.63 112.22 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.4 -25.55 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.351 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.71 -25.57 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.167 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 35' ' ' ASP . 4.2 mt -109.05 -24.61 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.263 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -114.3 164.93 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.405 ' OE1' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -90.95 174.73 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -68.31 -30.57 69.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -20.85 57.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 88.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -116.05 -33.25 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.431 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 44.4 p -143.13 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' ALA . 37.3 mt -58.33 -49.29 77.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -36.93 76.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -66.13 -36.25 82.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -66.34 -42.56 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.47 -49.33 77.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.74 -31.57 72.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -55.82 18.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.704 ' HB3' HH21 ' A' ' 18' ' ' ARG . . . -59.63 -38.6 81.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.26 -39.57 97.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -35.43 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.767 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -68.48 -45.01 73.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.36 -31.53 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' ' 75' ' ' LEU . 8.3 tt -68.13 -50.71 52.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.829 ' O ' HG22 ' A' ' 64' ' ' VAL . 9.0 ttt180 -64.55 -35.04 79.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.01 -28.67 55.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.9 80.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.435 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.8 m -54.91 -29.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.318 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.65 -29.43 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.17 21.41 8.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 60.86 40.65 15.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -108.53 37.35 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 30.7 mt -52.67 -44.33 95.07 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.434 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.3 Cg_exo -57.36 -35.54 98.87 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.289 1.993 . . . . 0.0 112.236 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.46 -29.72 69.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.28 -29.25 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.92 -51.75 66.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -48.31 68.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.723 ' HB2' HD12 ' A' ' 60' ' ' LEU . 5.5 mt -60.33 -37.87 81.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.72 -53.04 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.405 ' CE1' ' OE1' ' A' ' 40' ' ' GLN . 1.9 t-160 -65.77 -43.86 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.99 -48.73 79.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.16 77.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -69.83 -52.31 26.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -60.45 -43.72 96.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.83 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.27 92.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.7 mt -62.75 -38.79 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.74 79.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -69.28 -52.6 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -43.63 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.86 -53.54 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -36.19 74.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.95 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -34.28 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.875 HD22 HD23 ' A' ' 83' ' ' LEU . 5.0 tp -71.55 -29.91 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.683 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.24 -48.66 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.029 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -29.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -81.31 -35.63 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.159 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.815 ' O ' HG22 ' A' ' 24' ' ' VAL . 73.4 m -105.73 13.9 29.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.494 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.44 -58.22 9.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.584 0.231 . . . . 0.0 111.415 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 70.7 Cg_endo -86.32 41.76 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.779 2.319 . . . . 0.0 113.149 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 21' ' ' CYS . 22.9 m -122.73 6.6 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.09 -31.06 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -120.74 26.26 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.043 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -79.28 127.49 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.5 m -148.26 125.53 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 45' ' ' THR . 10.7 mt -105.13 149.32 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 158.17 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.87 -2.17 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.601 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -96.24 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.726 0.298 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -62.67 143.66 57.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 128.44 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -63.12 -18.35 63.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.353 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.56 -32.34 71.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.735 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 3.2 pp -109.93 -23.09 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -112.97 164.82 12.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -78.46 152.56 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 m -57.29 -30.77 64.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -102.31 21.49 14.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.217 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 49' ' ' CYS . . . -97.39 96.08 8.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.7 -7.57 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.498 ' N ' HD12 ' A' ' 30' ' ' LEU . 28.8 p -142.07 168.6 19.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.992 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 28' ' ' ALA . 20.8 mt -59.91 -49.27 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -35.98 81.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.09 -53.71 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 86' ' ' ILE . 27.5 p -66.89 -37.18 83.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 18' ' ' ARG . 24.7 tp -62.28 -47.1 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.12 -47.68 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.636 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.39 -36.86 85.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.5 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.62 -29.81 72.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.335 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.21 -58.09 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.793 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.615 ' OD1' HD21 ' A' ' 79' ' ' LEU . 10.2 p30 -65.44 -32.25 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.745 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -51.1 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.54 71.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 75' ' ' LEU . 64.3 tp -65.27 -54.34 30.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.751 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.729 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -59.08 -36.8 75.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -76.86 -26.89 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.786 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.86 -26.87 38.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.317 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 61' ' ' ARG . 27.8 m -53.25 -30.13 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.253 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.05 -29.89 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.81 18.05 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 53.62 57.27 6.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.786 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 15.2 mt-30 -110.3 36.37 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 4.3 mt -58.25 -44.06 98.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.407 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.7 Cg_exo -60.71 -29.12 87.71 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 0.0 112.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -26.2 47.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' A' ' 76' ' ' ALA . 40.2 t -56.94 -30.3 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.01 -53.03 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -48.34 75.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 60' ' ' LEU . 6.4 mt -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 72' ' ' VAL . . . -63.44 -53.21 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -40.38 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.19 -51.07 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.615 HD21 ' OD1' ' A' ' 56' ' ' ASN . 6.4 mt -58.93 -46.95 86.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.36 78.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -67.97 -36.34 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.86 -56.3 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.875 HD23 HD22 ' A' ' 17' ' ' LEU . 3.9 mt -57.38 -39.23 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -40.45 96.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.48 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 17' ' ' LEU . 27.8 mm -64.08 -48.91 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.86 89.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -60.71 -42.56 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.04 -48.44 78.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.768 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.714 -0.154 . . . . 0.0 112.714 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -70.52 -47.0 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 111.035 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.998 HD11 ' HB1' ' A' ' 53' ' ' ALA . 7.0 tt -57.28 -44.45 84.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.18 -52.18 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.301 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -60.98 -38.57 86.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -38.05 64.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.209 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.735 ' HG2' HD13 ' A' ' 50' ' ' LEU . 3.1 tmt_? -69.62 -37.3 76.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.18 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.19 -28.42 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.2 -45.42 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.05 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.35 13.79 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.277 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.654 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -56.24 -50.65 86.3 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.483 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 98.3 Cg_endo -85.09 26.68 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.775 2.317 . . . . 0.0 113.127 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 24' ' ' VAL . 17.2 t -108.37 22.87 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 111.204 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 1.4 m -73.09 -30.76 63.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.952 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.34 -35.1 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -112.86 26.21 10.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -76.1 122.75 24.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 m -149.25 126.67 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 45' ' ' THR . 6.6 mt -102.3 143.41 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 172.68 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.42 1.99 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.572 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -95.85 21.41 8.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.734 0.302 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 28.9 p90 -62.4 135.44 57.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.99 130.04 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -63.69 -23.2 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.86 -35.41 32.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD22 ' HB1' ' A' ' 81' ' ' ALA . 73.5 mt -86.68 -30.14 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -123.09 164.87 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.29 173.08 8.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 t -67.96 -22.3 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -95.02 21.47 7.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.193 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.05 90.69 3.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.843 0.354 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -129.37 13.84 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.64 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -158.18 165.18 35.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 28' ' ' ALA . 49.6 mt -59.66 -53.85 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.521 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -62.58 -31.27 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.717 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -33.11 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -54.54 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.735 HD13 ' HG2' ' A' ' 18' ' ' ARG . 3.8 pp -60.86 -43.1 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.733 ' N ' HD12 ' A' ' 50' ' ' LEU . 7.1 t0 -63.32 -45.25 92.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.66 -39.76 85.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.657 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.998 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -61.76 -44.2 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.805 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.567 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.12 -39.07 96.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.133 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -31.68 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.652 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.84 -52.84 25.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.693 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.5 pp -62.32 -35.61 79.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.522 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.28 -47.34 84.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.94 72.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 75' ' ' LEU . 8.3 tt -67.16 -41.13 86.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.796 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -67.72 -40.6 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.728 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.87 -26.88 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -55.18 -29.32 57.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.796 HG22 ' O ' ' A' ' 61' ' ' ARG . 34.6 m -58.26 -30.68 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -28.85 63.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -96.26 21.29 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 54.4 37.9 28.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.564 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 16.1 mt-30 -97.6 37.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.7 mt -55.62 -44.67 99.77 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.8 Cg_exo -58.49 -29.9 90.08 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.325 2.016 . . . . 0.0 112.239 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -29.76 53.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.517 HG13 ' CG ' ' A' ' 60' ' ' LEU . 28.4 t -57.9 -30.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.83 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -50.72 42.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.779 ' HB2' HD12 ' A' ' 60' ' ' LEU . 5.3 mt -59.88 -40.23 88.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.96 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.8 -35.61 76.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -68.32 -43.16 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.04 -47.18 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -67.09 -32.63 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.569 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -65.92 -50.11 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.672 HD21 ' CB ' ' A' ' 14' ' ' LEU . 11.2 mt -65.51 -47.08 77.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -37.16 76.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.2 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.455 HD11 ' OE1' ' A' ' 82' ' ' GLN . 8.4 mt -68.86 -48.87 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.16 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.95 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -64.78 -49.68 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 16' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.653 -0.179 . . . . 0.0 112.653 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 83' ' ' LEU . 17.6 mm-40 -76.28 -50.67 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.06 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.905 HD11 ' HB1' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -57.99 -33.93 69.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.34 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 17' ' ' LEU . 11.4 t -64.21 -47.56 79.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.263 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' HG23 ' A' ' 16' ' ' THR . 4.8 tp -61.36 -46.63 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.762 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 2.0 ttp180 -65.91 -26.55 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -59.78 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.31 -33.84 63.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.621 ' O ' HG22 ' A' ' 24' ' ' VAL . 1.8 t -91.81 13.86 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.557 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.843 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.31 -61.78 4.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-O 120.63 0.253 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.4 Cg_endo -78.53 59.77 7.31 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.561 2.174 . . . . 0.0 112.541 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.648 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 34.8 m -122.55 18.65 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.467 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 m -64.34 -26.21 68.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -78.27 -35.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.159 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.19 26.2 10.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -82.76 123.93 29.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.212 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 m -149.29 135.74 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 44' ' ' THR . 8.8 mt -104.4 149.33 25.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 t -62.79 175.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.19 -2.36 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.555 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.94 21.35 8.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -62.13 126.65 28.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.04 130.04 53.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -67.06 -25.91 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -37.27 40.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.9 -31.09 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.014 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HZ ' ' HB1' ' A' ' 85' ' ' ALA . 27.3 m-85 -114.4 150.49 34.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.33 168.74 19.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.5 p -59.56 -39.26 83.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -75.04 -20.93 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 83.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.569 ' C ' HD12 ' A' ' 30' ' ' LEU . 73.4 p -111.67 -26.77 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.03 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -133.9 -179.7 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 28' ' ' ALA . 45.0 mt -59.23 -49.92 76.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.045 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -57.35 -31.83 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.914 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.36 -39.72 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -45.86 89.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.739 HD13 ' HA ' ' A' ' 18' ' ' ARG . 15.5 mt -64.67 -48.48 74.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.86 -39.81 82.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -42.45 99.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.905 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -60.18 -43.75 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.33 -41.95 99.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.337 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -69.71 -31.24 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.88 -51.08 24.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.1 pp -66.24 -44.9 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.73 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -61.74 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -61.32 -28.84 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.805 HD11 HG13 ' A' ' 72' ' ' VAL . 3.6 tp -69.4 -43.86 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.804 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -63.05 -45.08 93.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -76.9 -26.8 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 59' ' ' ALA . . . -56.07 -31.61 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.483 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.8 m -56.42 -30.1 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.302 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.65 -25.25 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -100.41 21.33 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 54.46 51.84 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.543 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -97.16 37.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 1.5 mt -52.8 -52.39 65.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.498 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 35.2 Cg_endo -64.73 -24.45 61.99 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.378 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -26.98 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.805 HG13 HD11 ' A' ' 60' ' ' LEU . 23.0 t -55.73 -31.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.61 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -49.91 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.593 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -59.4 -31.56 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.5 -53.46 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.51 -35.89 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -64.99 -42.07 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 57' ' ' LEU . 15.1 mt -67.65 -46.75 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.28 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.18 98.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -55.8 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.0 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -53.66 -48.54 69.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -47.85 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB1' ' HZ ' ' A' ' 39' ' ' PHE . . . -57.99 -43.02 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.9 -48.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.47 66.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -52.5 13.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.19 -46.99 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.652 -0.179 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.03 -42.23 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' A' ' 83' ' ' LEU . 32.2 tp -61.71 -41.97 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -52.22 62.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.228 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.7 m -65.13 -42.88 93.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.69 -43.08 85.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.821 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 41.5 ttt180 -68.2 -26.04 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.63 -57.76 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -41.22 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.471 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -89.04 13.89 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.62 -179.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 18' ' ' ARG . . . -61.49 -60.95 8.87 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 111.253 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 66.7 Cg_endo -73.78 62.84 4.79 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.605 2.203 . . . . 0.0 112.481 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 21' ' ' CYS . 30.4 m -121.96 15.36 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.4 p -62.25 -41.68 98.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -32.79 70.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.81 26.22 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB1' ' HB ' ' A' ' 45' ' ' THR . . . -76.67 125.23 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.292 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -149.33 133.28 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 44' ' ' THR . 9.4 mt -108.13 149.1 28.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 169.84 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -6.22 56.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.641 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -95.28 21.39 8.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.69 0.281 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -59.88 142.61 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.55 130.06 56.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.675 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -68.86 -23.4 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -74.53 -33.51 62.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.213 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.449 HD22 ' HB1' ' A' ' 81' ' ' ALA . 73.4 mt -97.43 -29.95 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.203 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.447 ' CZ ' ' CB ' ' A' ' 85' ' ' ALA . 10.3 m-85 -113.49 165.03 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.41 164.92 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -63.08 -30.75 71.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -20.8 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.541 ' HB2' ' OE2' ' A' ' 52' ' ' GLU . . . -55.45 89.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.581 ' C ' HD12 ' A' ' 30' ' ' LEU . 50.6 p -113.74 -30.23 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 31.3 p -144.33 -179.64 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.19 -55.4 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.735 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -57.45 -44.44 84.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.7 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -68.34 -39.82 81.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.67 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -72.46 -34.08 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.02 -49.78 41.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.669 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.541 ' OE2' ' HB2' ' A' ' 43' ' ' ALA . 12.5 pt-20 -61.23 -47.04 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.636 ' HB2' ' NE2' ' A' ' 82' ' ' GLN . . . -60.15 -44.07 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.46 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -63.34 -30.32 77.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.205 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -34.68 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.634 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -66.2 -49.42 67.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.5 pp -65.71 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.79 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.872 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -70.02 -29.06 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 75' ' ' LEU . 6.6 tt -68.7 -37.14 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.779 ' O ' HG22 ' A' ' 64' ' ' VAL . 10.6 ttt85 -74.49 -40.72 61.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -76.92 -26.81 54.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 68' ' ' GLN . . . -54.26 -29.21 46.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.8 m -57.73 -31.08 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.157 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.98 -28.42 60.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.64 21.23 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.247 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 54.08 59.49 4.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 111.029 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.456 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -125.67 32.44 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 8.4 mp -55.29 -50.66 85.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 50.7 Cg_exo -53.13 -30.8 51.87 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.381 2.054 . . . . 0.0 112.234 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -23.8 51.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.49 -32.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.15 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -65.34 -52.01 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.446 ' CB ' HD12 ' A' ' 60' ' ' LEU . 1.1 mt -59.61 -36.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -48.18 82.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.74 -42.63 93.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -61.71 -38.26 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.607 HD11 ' HA ' ' A' ' 57' ' ' LEU . 14.1 mt -63.17 -44.78 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.01 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -62.37 -38.79 90.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.636 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -61.81 -45.99 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.7 -43.1 94.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -59.1 -42.19 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.55 -42.49 95.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.2 mt -66.6 -49.29 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.56 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -66.18 -48.92 69.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -66.55 -41.44 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.248 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.03 -39.01 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -40.14 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -52.25 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -70.29 -41.04 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 86' ' ' ILE . 4.5 tp -62.73 -60.05 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -59.67 -30.44 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -55.92 23.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.604 HH12 HD12 ' A' ' 17' ' ' LEU . 2.9 ptt85 -75.63 -29.93 59.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.6 m -93.84 13.74 21.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.32 -56.59 12.46 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.746 0.308 . . . . 0.0 111.035 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 93.5 Cg_endo -83.75 48.43 2.59 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.792 2.328 . . . . 0.0 112.614 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 24' ' ' VAL . 21.2 t -122.6 5.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 p -62.04 -35.36 78.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.29 -34.72 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -115.58 26.17 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -85.61 126.86 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.437 ' HA ' HG22 ' A' ' 45' ' ' THR . 2.6 m -148.65 135.8 20.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.49 146.52 24.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.83 176.2 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.77 -2.2 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -96.19 21.35 9.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -61.53 137.73 58.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -115.6 130.02 56.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -26.74 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -30.8 53.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.77 HD22 ' HB1' ' A' ' 81' ' ' ALA . 34.8 mt -91.67 -32.37 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.8 152.4 32.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' OE1' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -79.35 164.15 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.472 HG22 ' OE1' ' A' ' 40' ' ' GLN . 10.3 t -63.26 -23.67 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -95.17 21.48 7.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.209 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . . . -117.34 103.96 10.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 45' ' ' THR . 0.9 OUTLIER -129.28 13.81 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' THR . 2.0 p -163.5 171.81 15.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.35 -50.62 73.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.427 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.793 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.54 ' HB1' ' HA ' ' A' ' 43' ' ' ALA . . . -65.58 -36.35 83.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.58 -43.5 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 47' ' ' GLN . 17.5 mt -61.35 -48.34 81.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.72 -42.85 99.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.61 -41.71 98.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.469 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -60.25 -45.25 93.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.19 -36.76 93.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.427 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.46 -31.63 62.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -65.78 -52.8 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.9 pp -65.96 -38.39 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -63.73 -51.19 66.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.69 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.903 HD11 HG22 ' A' ' 72' ' ' VAL . 29.9 tp -73.58 -41.44 62.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.767 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -58.84 -44.2 90.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -76.91 -27.76 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.96 64.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.458 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.4 m -55.54 -30.25 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.259 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.38 21.3 11.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 57.39 56.83 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.32 37.32 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.3 mt -60.62 -45.12 97.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.29 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.7 Cg_exo -58.8 -28.42 86.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.296 1.997 . . . . 0.0 112.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -23.85 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.903 HG22 HD11 ' A' ' 60' ' ' LEU . 48.5 t -57.75 -29.02 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.154 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.256 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -51.94 25.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -57.93 -41.77 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.27 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.17 87.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.97 -44.59 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.04 -39.53 92.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.46 -51.99 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -58.26 -34.5 70.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.469 HE21 ' HB2' ' A' ' 53' ' ' ALA . 3.8 tt0 -65.31 -55.63 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -62.83 -31.39 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.16 -41.6 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.92 -37.6 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.703 HG21 HD21 ' A' ' 17' ' ' LEU . 12.1 mt -69.12 -41.76 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.41 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.31 -50.55 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.31 -52.16 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -69.35 -48.74 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 14' ' ' LEU . 2.0 tm? -57.53 -39.88 77.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.14 -52.23 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 m -65.11 -33.87 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.59 -43.33 59.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.712 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.18 -30.22 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.45 -36.51 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.2 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.3 -32.17 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.193 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.581 ' O ' HG22 ' A' ' 24' ' ' VAL . 49.5 m -101.24 13.81 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.48 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -55.49 -60.0 9.67 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.647 0.261 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 87.6 Cg_endo -81.36 63.66 8.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.724 2.282 . . . . 0.0 112.448 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.724 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 34.1 m -121.34 19.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.519 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -63.87 -26.95 68.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -79.21 -48.87 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.49 26.17 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -82.61 122.67 28.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.127 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -149.4 125.59 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 45' ' ' THR . 7.4 mt -106.63 143.52 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -71.26 157.63 37.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.96 -2.95 57.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.595 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -95.99 21.39 8.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -64.98 154.88 36.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' HD12 ' A' ' 38' ' ' LEU . 8.3 m-20 -103.47 130.1 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -69.07 -24.62 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -88.63 -27.13 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.285 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD22 ' HB1' ' A' ' 81' ' ' ALA . 13.9 mt -93.13 -27.0 17.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.232 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -112.99 164.92 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -84.91 174.06 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.44 HG23 ' HG2' ' A' ' 42' ' ' ARG . 10.3 t -78.24 -21.92 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.557 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 8.0 mmt180 -94.8 21.44 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.08 93.54 7.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.2 p -109.43 -31.17 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.481 ' N ' HD12 ' A' ' 30' ' ' LEU . 16.6 p -146.11 178.67 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 28' ' ' ALA . 65.1 mt -57.24 -41.05 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.51 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -64.52 -30.71 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 42' ' ' ARG . . . -77.77 -40.48 40.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -42.86 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' A' ' 18' ' ' ARG . 9.9 tp -66.31 -47.2 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.649 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.84 -39.56 94.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.22 -42.14 96.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -60.21 -43.79 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.83 99.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.3 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -32.45 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.717 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -64.59 -53.44 47.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.4 pp -64.8 -36.46 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.72 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.33 -47.36 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -34.82 78.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 75' ' ' LEU . 32.7 tp -64.42 -44.97 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.755 ' O ' HG22 ' A' ' 64' ' ' VAL . 8.7 mtp180 -62.7 -40.33 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.85 -26.87 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.51 -29.01 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.369 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 61' ' ' ARG . 31.1 m -54.76 -26.47 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -63.0 -28.74 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.72 14.6 28.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.23 59.76 2.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.749 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.4 mp0 -95.35 37.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.916 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -49.47 -52.15 52.28 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.722 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 33.1 Cg_endo -64.46 -41.83 18.91 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.173 1.915 . . . . 0.0 112.393 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.26 -26.88 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 68' ' ' GLN . 24.4 t -57.08 -29.25 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.183 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -53.11 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -66.99 -46.87 73.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 60' ' ' LEU . 4.3 mt -59.87 -39.38 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.45 -38.15 83.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -45.12 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -38.68 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.39 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -60.05 -42.43 94.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' A' ' 53' ' ' ALA . 9.2 tt0 -65.51 -48.93 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.546 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -59.82 -35.21 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.47 -46.75 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mt -63.76 -46.37 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.61 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -69.31 -46.41 67.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -45.8 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.66 -40.33 92.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.643 HD23 ' HG ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -64.22 -46.48 83.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.7 90.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.0 m -71.24 -50.02 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.02 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -34.9 79.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.674 ' HA ' HD11 ' A' ' 50' ' ' LEU . 17.6 ttt180 -67.37 -43.99 80.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -37.27 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -39.0 61.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.18 13.63 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.92 -55.74 35.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 97.0 Cg_endo -84.32 44.89 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.811 2.34 . . . . 0.0 112.773 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.648 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 15.0 t -122.67 22.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.314 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -31.4 68.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -71.06 -30.7 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -119.49 26.17 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -83.18 124.57 30.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -149.24 131.73 15.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 30' ' ' LEU . 12.9 mt -108.66 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 161.81 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.21 1.86 42.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.553 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -98.82 21.34 11.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.664 0.269 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -60.03 145.88 44.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -116.34 128.68 55.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -20.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -35.57 57.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.21 -29.91 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.08 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -117.75 164.93 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 174.55 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t -65.9 -27.13 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.563 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 27.5 mtt85 -88.95 9.49 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.37 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.74 88.32 4.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.801 0.334 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.04 -31.84 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.543 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 26.5 p -137.31 -179.71 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 28' ' ' ALA . 27.6 mt -58.58 -53.4 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -30.46 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' A' ' 42' ' ' ARG . . . -70.6 -53.7 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -65.14 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 18' ' ' ARG . 18.7 tp -64.65 -46.85 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.662 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.767 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.99 -42.81 99.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.66 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.9 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.02 97.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.339 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -41.5 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.787 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -66.31 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -50.62 67.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.74 87.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -64.1 -34.25 77.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.672 HD11 HG13 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -69.25 -40.09 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.793 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.717 ' O ' HG22 ' A' ' 64' ' ' VAL . 13.5 ttm180 -62.03 -48.11 81.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -76.86 -26.89 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 59' ' ' ALA . . . -54.72 -26.87 36.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.319 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.0 m -53.39 -30.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.289 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.66 -29.03 61.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -76.35 -5.82 48.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.426 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 61.34 38.18 16.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CD ' ' HB1' ' A' ' 63' ' ' ALA . 4.1 pt20 -100.95 37.51 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.6 mm? -44.88 -50.49 25.42 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.463 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 52.0 Cg_exo -52.42 -34.83 63.01 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.38 2.054 . . . . 0.0 112.223 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.464 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.7 mp0 -78.24 -26.61 47.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.995 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.672 HG13 HD11 ' A' ' 60' ' ' LEU . 52.4 t -55.63 -32.11 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.93 98.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -67.78 -46.3 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 71' ' ' GLN . 4.5 mp -60.82 -41.46 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.767 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.67 96.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -42.26 97.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -41.4 87.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.714 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.22 -44.93 82.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.51 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.79 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -49.63 74.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.643 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -59.89 -43.88 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.14 -37.62 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.91 97.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.8 mt -64.98 -43.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.28 91.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.3 78.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.89 -48.58 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.62 -49.83 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -61.03 -35.06 75.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.36 -44.58 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.551 HG22 ' HD2' ' A' ' 20' ' ' ARG . 2.8 m -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -36.74 74.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -31.07 58.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -45.12 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HD2' HG22 ' A' ' 16' ' ' THR . 14.9 mtt85 -74.06 -35.28 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.3 t -92.77 13.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -61.01 -56.97 29.73 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 93.2 Cg_endo -83.18 47.73 2.49 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.739 2.292 . . . . 0.0 112.739 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.3 t -122.62 10.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.551 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -61.28 -45.55 94.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.072 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.75 -42.26 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -100.79 26.24 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.692 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -89.97 124.5 34.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -149.13 136.04 19.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.717 HD11 ' SG ' ' A' ' 49' ' ' CYS . 13.8 mt -109.06 149.28 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -68.88 163.74 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.48 -5.75 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.569 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 21.46 8.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.674 0.274 . . . . 0.0 111.167 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -62.73 154.15 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.54 128.01 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -68.1 -22.57 64.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.95 -28.33 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 82' ' ' GLN . 11.2 m-85 -114.74 162.26 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -86.37 170.67 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 m -68.27 -30.92 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -79.12 -20.97 47.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.602 ' HB1' ' SG ' ' A' ' 49' ' ' CYS . . . -60.13 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.359 . . . . 0.0 111.055 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 45' ' ' THR . 2.6 t -111.59 -25.56 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 44' ' ' THR . 10.6 p -138.55 173.3 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 28' ' ' ALA . 18.7 mt -55.37 -55.11 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.15 -35.95 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -60.96 -43.14 99.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.717 ' SG ' HD11 ' A' ' 30' ' ' LEU . 35.6 m -66.2 -38.15 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.761 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 21' ' ' CYS . 93.3 mt -60.64 -46.72 89.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.702 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -44.63 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 -41.5 97.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.631 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -63.36 -43.86 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.61 96.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.287 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -36.75 78.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -64.46 -33.64 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.728 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' LEU . 1.9 tp -75.11 -44.05 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.515 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.89 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -78.22 -31.62 49.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 75' ' ' LEU . 7.4 tt -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.785 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.776 ' O ' HG22 ' A' ' 64' ' ' VAL . 19.3 ttt85 -75.72 -40.76 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -76.93 -26.87 54.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -54.3 -29.67 48.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.7 m -56.93 -29.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.228 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -68.92 -30.45 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.81 21.32 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.211 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.568 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 4.3 mt-30 -97.54 37.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mt -55.76 -44.49 99.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.375 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 33.8 Cg_exo -59.76 -31.4 94.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.038 . . . . 0.0 112.149 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -27.05 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.7 t -57.55 -31.61 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.78 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -45.68 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.801 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CB ' HD12 ' A' ' 60' ' ' LEU . 11.8 mt -62.8 -38.79 92.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.9 -51.02 71.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.72 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.19 -46.68 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mt -60.77 -49.63 76.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.806 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.11 86.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.09 98.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.459 HE21 ' HB2' ' A' ' 53' ' ' ALA . 3.5 tt0 -66.06 -50.48 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -39.67 72.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.64 -30.9 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.29 73.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.37 -46.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.13 83.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -68.68 -53.91 19.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -51.38 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.804 0.335 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.564 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 69.4 -65.86 0.28 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 p -57.66 -26.99 62.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.49 -26.65 41.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.255 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 2' ' ' LYS . 46.9 mt -69.34 -50.48 46.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.191 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.6 -29.96 60.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.119 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -43.76 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.71 -34.91 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -46.24 63.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -50.76 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -38.74 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.09 -48.04 79.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -41.28 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 83' ' ' LEU . 2.4 tt -59.75 -37.11 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -46.73 41.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -62.69 -50.88 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.57 -44.95 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.5 -29.99 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.029 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.83 -48.85 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -70.02 -34.03 72.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG22 ' A' ' 24' ' ' VAL . 87.0 m -98.72 13.79 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.312 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -60.34 -61.45 7.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.668 0.271 . . . . 0.0 111.147 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 73.8 Cg_endo -75.51 60.1 5.71 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.548 2.165 . . . . 0.0 112.485 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 21' ' ' CYS . 34.6 m -119.31 -11.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.747 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.2 p -59.95 -21.85 61.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.432 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.4 -42.0 68.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.762 0.315 . . . . 0.0 111.329 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 26.26 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.158 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.91 122.6 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t -149.4 126.03 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 44' ' ' THR . 8.2 mt -100.73 136.24 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.5 p -59.9 176.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.11 1.84 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.575 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -97.31 21.34 10.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.41 ' CD1' ' NH2' ' A' ' 36' ' ' ARG . 10.6 p90 -63.04 145.0 56.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.046 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.01 130.05 53.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' NH2' ' CD1' ' A' ' 34' ' ' PHE . 10.9 mmp_? -65.81 -22.29 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -76.44 -44.37 36.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.187 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.608 HD22 ' HB1' ' A' ' 81' ' ' ALA . 69.8 mt -84.29 -31.07 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 34.1 m-85 -115.06 152.19 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.11 170.91 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.5 m -64.0 -36.42 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.14 -20.91 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 87.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.496 ' C ' HD12 ' A' ' 30' ' ' LEU . 10.0 t -110.67 -27.89 8.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.472 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 69.8 p -138.84 175.04 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.6 -54.95 40.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -57.14 -35.76 69.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.472 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -67.72 -34.85 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.94 -48.57 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.744 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.02 -40.44 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.34 -49.03 75.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.759 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.31 -41.67 89.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.13 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.553 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -63.91 -38.2 95.75 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.317 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.6 -31.88 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.18 -54.14 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.7 pp -59.88 -37.99 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -59.69 -54.85 41.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.4 81.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.663 HD11 HG13 ' A' ' 72' ' ' VAL . 15.3 tp -65.16 -31.65 72.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.786 ' O ' HG22 ' A' ' 64' ' ' VAL . 34.0 mtp180 -72.2 -44.25 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.93 -27.84 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -58.5 -28.21 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 61' ' ' ARG . 31.7 m -56.1 -29.52 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.329 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.56 -29.18 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 14.09 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 54.52 48.32 20.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.908 0.385 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 41.1 mt-30 -97.24 37.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.7 mm? -52.4 -49.37 85.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.349 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 55.8 Cg_exo -51.61 -33.05 46.93 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.353 2.036 . . . . 0.0 112.283 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 75' ' ' LEU . 4.2 mt-30 -78.02 -24.76 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.663 HG13 HD11 ' A' ' 60' ' ' LEU . 61.2 t -58.68 -29.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.069 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.96 -52.78 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -48.54 67.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -60.13 -33.8 72.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.96 -44.54 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.81 -43.9 97.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.52 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.05 94.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.608 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -65.99 -37.42 85.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.44 -52.23 66.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -62.5 -34.17 76.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.38 -41.34 69.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.626 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.02 -43.24 96.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.3 mt -65.97 -44.22 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.048 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -50.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 8.4 mt-10 -61.42 -48.11 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.62 75.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -66.24 -43.51 86.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.98 -57.2 13.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 11.8 m95 -61.2 -24.15 66.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.976 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m 67.22 150.69 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tp -65.27 80.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.79 30.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 61.04 165.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 7.8 m95 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.913 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mmm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.748 0.308 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.31 43.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.067 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.464 ' HA ' HD21 ' A' ' 6' ' ' LEU . 11.9 m -77.81 -17.95 56.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.22 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.26 -25.25 42.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.402 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -50.19 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.349 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 7' ' ' LEU . 2.8 pp -56.77 -50.83 71.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.38 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.774 ' N ' HD12 ' A' ' 6' ' ' LEU . 3.9 pp -63.87 -39.48 94.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.019 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.729 ' N ' HD12 ' A' ' 7' ' ' LEU . 8.0 mt-10 -66.15 -31.28 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -73.98 -36.06 64.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.0 mm? -66.12 -47.97 72.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.99 -40.14 83.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.87 -34.94 91.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.577 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -74.01 -51.13 16.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.786 HD11 ' HB1' ' A' ' 53' ' ' ALA . 6.4 tt -60.7 -35.55 76.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.026 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.89 -52.22 38.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 m -63.1 -50.24 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -58.97 -51.19 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.065 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -62.27 -26.12 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.41 -43.39 32.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.079 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -29.61 45.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.052 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.76 13.88 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.359 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.33 -54.79 45.9 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.212 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.759 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.9 Cg_endo -84.8 44.66 1.51 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.792 2.328 . . . . 0.0 112.792 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 24' ' ' VAL . 15.3 t -122.7 22.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.206 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.0 p -66.86 -32.39 73.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.059 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.31 -29.85 60.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.22 26.16 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.672 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -86.57 127.6 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.201 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -149.21 125.51 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.578 HD12 ' C ' ' A' ' 44' ' ' THR . 10.7 mt -97.65 135.52 39.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 p -61.72 175.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.39 1.94 49.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.538 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -96.85 21.42 9.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.642 0.258 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -62.59 149.01 44.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.61 123.96 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -63.4 -27.53 69.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -34.92 30.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.048 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.481 HD22 ' HB1' ' A' ' 81' ' ' ALA . 70.3 mt -81.45 -31.17 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.31 160.71 19.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.36 170.72 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -63.89 -23.37 67.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.574 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -94.51 21.44 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.212 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.29 89.47 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.578 ' C ' HD12 ' A' ' 30' ' ' LEU . 5.0 t -109.97 -26.95 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.577 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 74.5 p -138.44 178.72 6.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 28' ' ' ALA . 21.2 mt -58.24 -47.8 82.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.91 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -70.29 -53.75 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.4 -39.01 91.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.52 -45.58 92.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -42.92 99.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.95 -38.42 85.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.786 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.28 -38.29 95.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.284 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.6 -33.28 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.677 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.85 -54.18 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.667 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.4 pp -63.92 -35.55 81.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.782 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.478 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.49 -54.85 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.47 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.679 HD12 ' CB ' ' A' ' 75' ' ' LEU . 7.3 tt -67.13 -39.88 86.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.692 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.847 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -69.31 -36.39 76.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.689 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -76.99 -27.57 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -56.15 -37.73 69.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.39 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 61' ' ' ARG . 32.0 m -56.22 -29.56 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.19 -30.59 70.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -101.03 21.36 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 58.74 55.31 4.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 53.7 mt-30 -109.82 37.38 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 80.5 mt -50.97 -54.36 38.2 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.67 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 19.8 Cg_endo -58.55 -26.23 77.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.278 1.986 . . . . 0.0 112.44 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -30.56 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.828 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 68' ' ' GLN . 42.1 t -58.47 -31.66 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.65 93.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.31 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.679 ' CB ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -59.19 -33.59 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.27 77.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -62.26 -44.5 96.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -62.27 -36.87 83.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.49 -48.96 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.89 82.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -64.76 -47.87 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.86 -45.78 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.541 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -60.51 -46.77 88.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.77 -41.94 87.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.95 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 83' ' ' LEU . 6.0 mt -65.42 -43.35 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.88 78.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -53.76 50.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 13.2 pt-20 -61.21 -42.83 99.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.51 86.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.8 p -76.14 -34.91 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.23 -60.58 3.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 9.9 m95 -62.15 -25.62 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 m -71.23 64.3 0.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.63 24.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.016 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -167.19 31.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.788 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.91 38.42 24.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.816 0.341 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.4 -66.1 0.27 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 p -57.34 -30.77 65.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.62 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.12 -46.08 24.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.78 -46.16 90.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.25 -37.83 84.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -70.96 -44.66 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -51.23 70.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -46.64 88.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -60.57 -40.36 91.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.33 -46.54 69.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -67.35 -46.34 73.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD11 HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.78 -44.89 93.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -67.6 -40.85 84.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.83 HD21 HG21 ' A' ' 86' ' ' ILE . 1.1 tp -64.41 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.82 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.12 -31.27 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.124 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.48 -42.75 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.314 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -40.81 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.595 ' O ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -90.59 13.7 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.552 -179.713 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.858 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.36 -62.35 3.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.606 0.241 . . . . 0.0 110.972 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 83.9 Cg_endo -80.74 56.4 6.07 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.156 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 21' ' ' CYS . 13.9 p -115.8 -3.93 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.716 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 p -58.34 -21.72 50.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.718 0.294 . . . . 0.0 111.188 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -71.69 -51.76 21.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.145 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CZ ' HG23 ' A' ' 24' ' ' VAL . 26.4 p90 -111.77 26.14 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.18 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -65.08 125.34 24.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.6 m -149.2 126.82 11.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 44' ' ' THR . 6.1 mt -90.79 140.67 29.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -65.98 151.94 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.36 -10.73 60.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.549 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.3 21.48 6.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.209 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -56.93 144.15 34.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -118.38 127.86 54.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -68.79 -25.85 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -77.75 -29.2 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.614 HD23 ' HB1' ' A' ' 81' ' ' ALA . 12.4 mt -93.84 -32.43 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.006 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 72.4 m-85 -119.68 160.58 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.87 167.93 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.3 t -64.74 -29.41 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -20.82 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.0 89.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.635 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -112.79 -33.88 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.9 p -137.66 172.99 12.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 24' ' ' VAL . 12.6 mt -59.6 -48.97 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.36 -40.01 85.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.77 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.992 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.14 -45.34 92.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 18' ' ' ARG . 3.4 tp -60.82 -48.99 79.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -39.39 84.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.07 -38.27 88.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.725 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.21 90.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.67 97.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.344 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.67 -31.6 66.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -66.04 -54.83 20.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.8 pp -62.19 -37.71 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.782 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.59 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.37 -37.55 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -73.97 -34.05 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' A' ' 75' ' ' LEU . 7.8 tt -69.49 -38.31 77.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.771 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.815 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -70.88 -42.29 70.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -76.97 -26.88 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -56.1 -36.14 67.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.424 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.2 m -54.07 -28.96 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.334 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -27.05 61.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.014 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -95.83 21.25 8.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 58.88 43.78 17.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.7 mt-30 -100.9 37.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 39.1 mt -55.47 -57.49 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.392 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 27.9 Cg_endo -62.51 -22.4 73.97 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.309 2.006 . . . . 0.0 112.395 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -27.11 54.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.013 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 68' ' ' GLN . 23.9 t -55.76 -26.67 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.406 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.63 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -41.96 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.773 ' HB3' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -63.52 -38.39 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.43 76.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.21 -40.78 86.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -68.13 -43.92 77.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.43 HD21 ' N ' ' A' ' 57' ' ' LEU . 1.2 mt -60.41 -52.58 64.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.84 -48.92 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.614 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -58.77 -45.64 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.45 -52.64 64.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -59.23 -44.81 92.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.22 -43.16 99.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -62.85 -45.66 91.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.83 HG21 HD21 ' A' ' 17' ' ' LEU . 7.0 mt -62.65 -44.86 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -46.43 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 23.3 mt-10 -63.84 -54.9 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.4 -40.22 81.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 t -71.66 -30.64 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.95 -59.56 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.408 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 12.5 m95 -57.27 -24.33 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.3 t -69.75 145.95 51.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.87 53.84 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.18 37.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 58.12 92.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.408 ' CE3' ' HB3' ' A' ' 93' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tmm? . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -108.77 -58.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.6 m -61.98 -36.95 83.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.31 89.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -59.88 -44.86 93.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -74.25 -26.53 60.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.407 HD11 ' HG3' ' A' ' 61' ' ' ARG . 1.4 tt -59.21 -46.67 87.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.061 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.6 -35.86 75.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.23 -41.77 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.022 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -47.16 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -63.42 -40.07 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.0 -49.39 72.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -66.67 -43.85 83.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.679 HD11 ' HB1' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -68.52 -28.98 67.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.01 57.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 17' ' ' LEU . 12.9 t -68.21 -44.98 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.038 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -58.41 -54.18 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.219 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 7.6 ptm180 -63.93 -30.33 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.084 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -66.93 -42.51 85.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -38.63 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.2 m -93.26 13.75 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.0 -57.83 21.43 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.684 0.278 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 87.0 Cg_endo -81.43 52.05 4.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.723 2.282 . . . . 0.0 112.666 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.709 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 15.8 t -122.6 16.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.373 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -29.24 68.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -65.47 -41.07 93.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.93 26.26 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.1 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.3 141.64 24.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -107.49 129.18 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 m -61.69 176.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.24 1.97 38.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.642 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -89.52 9.41 26.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.623 0.249 . . . . 0.0 111.376 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -65.27 143.2 57.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.64 118.89 32.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.61 HH12 HG23 ' A' ' 41' ' ' THR . 49.3 mtt-85 -59.13 -19.65 46.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.383 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -74.14 -43.39 57.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.39 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -94.79 -17.91 21.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.535 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -112.86 159.32 19.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.974 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.64 168.1 20.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.61 HG23 HH12 ' A' ' 36' ' ' ARG . 39.5 m -70.65 -31.82 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.62 -10.75 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.357 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.18 90.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -113.05 -33.18 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 p -136.3 170.2 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -57.79 -53.96 52.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -42.5 79.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.87 76.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -43.84 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.764 HD21 HD23 ' A' ' 17' ' ' LEU . 48.9 mt -60.12 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.04 -37.75 83.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.708 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.44 -42.32 87.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -45.92 95.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.275 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.17 -37.68 83.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.61 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.481 ' HB2' HD21 ' A' ' 79' ' ' LEU . 65.6 m-20 -65.56 -38.02 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.734 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 14' ' ' LEU . 5.7 mt -62.64 -47.29 84.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.722 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.46 79.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.01 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.888 HD11 HG13 ' A' ' 72' ' ' VAL . 14.6 tp -68.54 -47.62 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.721 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.778 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -60.88 -42.26 97.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.78 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -76.96 -26.81 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -53.91 -28.57 37.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.369 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 61' ' ' ARG . 32.3 m -57.35 -29.8 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.44 -30.7 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -96.93 21.1 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 54.59 45.94 25.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.91 0.386 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.659 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 25.3 mt-30 -97.27 37.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.489 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -58.54 -48.03 97.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.177 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.489 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 28.2 Cg_exo -61.73 -31.99 86.24 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.357 2.038 . . . . 0.0 112.178 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -26.05 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.888 HG13 HD11 ' A' ' 60' ' ' LEU . 42.9 t -53.22 -28.16 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.8 87.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -43.42 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 60' ' ' LEU . 3.8 mt -66.65 -33.75 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.87 -54.22 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.57 -34.7 74.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -73.12 -50.11 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 56' ' ' ASN . 13.2 mt -59.4 -44.11 92.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.95 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.32 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.48 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -66.9 -44.35 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -52.86 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.977 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.19 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.7 mt -70.96 -46.42 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -56.72 -50.63 71.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.288 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 1.6 ttm180 -65.29 -36.42 84.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -60.16 -59.09 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.87 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.73 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.5 t -59.55 -31.03 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 88' ' ' ARG . . . -67.92 -59.79 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 10.7 m95 -58.65 -26.76 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 p 60.62 -164.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.71 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 95' ' ' LEU . 1.3 pp -71.02 64.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 178.43 61.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.673 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 170.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.108 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 49.4 p90 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.897 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.819 0.343 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.56 ' HB2' HD12 ' A' ' 5' ' ' LEU . 5.4 tttt -131.32 164.88 24.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -74.83 -38.76 61.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.44 -27.13 41.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.216 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 2' ' ' LYS . 2.8 mt -76.2 -48.86 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.142 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 7' ' ' LEU . 3.9 pp -56.12 -41.55 75.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.135 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.712 ' N ' HD12 ' A' ' 6' ' ' LEU . 5.3 tp -60.8 -32.2 71.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -46.53 85.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -34.42 56.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -60.46 -36.29 77.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -54.56 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.21 97.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.602 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -66.56 -37.87 85.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.674 ' CD1' HD11 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -63.35 -48.29 78.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.011 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.26 78.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -63.26 -51.94 64.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -34.22 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.705 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 1.6 mmm180 -69.99 -37.27 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.049 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -37.38 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.042 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -28.81 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.03 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.618 ' CB ' HD11 ' A' ' 50' ' ' LEU . 34.5 m -108.54 13.75 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.95 -62.24 6.02 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 85.0 Cg_endo -77.5 60.63 7.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.515 2.143 . . . . 0.0 112.346 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.59 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.2 m -118.47 -9.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.754 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.13 -21.25 45.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.657 0.265 . . . . 0.0 111.389 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -51.77 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.8 26.29 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -67.18 122.8 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -149.26 125.51 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 45' ' ' THR . 10.2 mt -101.28 149.32 24.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -66.59 166.65 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -7.45 54.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 21.32 7.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -60.94 148.26 40.41 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -109.9 130.02 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -20.49 66.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.21 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -45.91 45.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.068 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.3 -30.54 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 4.1 m-85 -115.45 154.06 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.67 173.64 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -78.08 -23.23 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -94.12 19.19 9.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.52 99.43 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.6 p -121.52 0.75 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.423 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.623 ' N ' HD12 ' A' ' 30' ' ' LEU . 41.0 p -148.94 169.3 20.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.426 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -61.76 -32.67 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.01 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.619 ' SG ' HD11 ' A' ' 30' ' ' LEU . 1.5 m -64.35 -53.97 40.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.618 HD11 ' CB ' ' A' ' 21' ' ' CYS . 88.3 mt -61.71 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -64.26 -42.74 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.694 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.41 -43.33 96.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -60.94 -41.79 96.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.767 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.29 97.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.225 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.658 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.674 HD11 ' CD1' ' A' ' 14' ' ' LEU . 1.4 mt -63.01 -44.93 94.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.667 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.15 87.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.17 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.704 HD11 HG13 ' A' ' 72' ' ' VAL . 6.1 tp -62.06 -59.21 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.613 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.1 ptp85 -61.09 -29.03 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -76.93 -31.13 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.718 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.7 m -53.87 -26.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.274 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.02 -24.2 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -106.92 21.38 17.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 63.02 55.97 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.926 0.393 . . . . 0.0 111.157 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.718 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -115.83 37.32 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 6.5 mt -52.86 -57.28 16.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.478 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.7 Cg_endo -53.22 -25.78 31.4 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.372 2.048 . . . . 0.0 112.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -78.27 -29.94 48.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.704 HG13 HD11 ' A' ' 60' ' ' LEU . 24.8 t -59.1 -28.38 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.3 82.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -48.29 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.55 -33.81 75.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.32 -54.19 37.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -37.57 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -67.54 -43.13 81.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.87 -46.94 85.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.672 ' HA ' HD11 ' A' ' 10' ' ' LEU . . . -61.2 -41.22 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.0 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -55.03 23.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.638 HD12 HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -58.68 -44.12 90.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.68 -30.39 71.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.645 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -67.33 -43.41 81.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 49' ' ' CYS . 35.9 mm -65.63 -46.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.11 82.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -70.83 -45.76 63.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.76 -48.34 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.17 90.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.5 p -68.27 -30.76 69.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.14 -52.94 29.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -59.0 -24.74 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 t -56.76 -22.51 36.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.262 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.07 58.57 0.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.88 31.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 58.22 30.58 19.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.866 0.365 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -108.97 160.77 15.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -17.11 63.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.234 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.39 67.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.339 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.5 -53.5 47.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.177 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.541 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.4 pp -74.7 -33.18 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.978 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -64.13 -42.02 96.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.722 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -60.45 -36.38 78.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -71.63 -35.45 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.993 HD23 HD13 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -68.78 -44.71 73.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.13 -40.72 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.29 -46.73 93.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -42.64 86.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' HD12 ' A' ' 83' ' ' LEU . 3.0 mt -65.4 -36.84 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 m -68.52 -33.67 74.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -73.86 -33.39 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HG2' HD21 ' A' ' 50' ' ' LEU . 4.4 tmt_? -74.48 -32.66 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.023 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.08 -39.46 49.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -81.34 -40.91 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.95 13.82 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.4 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -53.53 -61.83 4.53 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.648 0.261 . . . . 0.0 111.226 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 72.4 Cg_endo -76.31 60.42 6.36 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.544 2.163 . . . . 0.0 112.214 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.0 -18.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.501 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.8 p -47.55 -28.27 2.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.747 0.308 . . . . 0.0 111.465 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.11 -51.74 68.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -119.8 26.21 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.26 122.77 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.25 128.72 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.563 HD12 ' C ' ' A' ' 44' ' ' THR . 26.3 mt -97.96 149.34 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -56.67 156.96 5.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.1 -1.42 52.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.571 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -96.25 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -65.26 146.45 54.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.75 121.42 38.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.659 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -63.57 -16.81 61.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.09 -31.12 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.387 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 4.6 pp -114.01 -17.71 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.606 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 1.1 m-85 -112.9 157.74 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.81 155.8 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -64.63 -34.84 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -76.54 -20.94 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.224 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 86.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.563 ' C ' HD12 ' A' ' 30' ' ' LEU . 29.6 p -112.13 -29.57 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.51 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 69.5 p -130.86 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -56.65 -41.69 77.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -70.92 -36.22 72.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.51 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -62.88 -47.7 82.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.0 p -73.17 -37.39 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 18' ' ' ARG . 14.3 tp -60.59 -51.35 69.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -44.59 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.679 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.72 -36.71 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.43 -45.63 90.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -60.52 -42.23 99.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.267 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.8 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.8 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.31 -55.32 14.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.597 ' HA ' HD11 ' A' ' 79' ' ' LEU . 3.7 pp -61.35 -37.47 83.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.79 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.553 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.91 -45.67 81.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 72' ' ' VAL . 59.8 tp -68.08 -42.48 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.749 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.809 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -62.88 -44.56 95.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -76.89 -26.91 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.64 -31.69 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 61' ' ' ARG . 30.9 m -56.19 -30.13 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.297 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -26.87 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -95.37 21.38 8.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 59.07 59.47 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -114.36 35.84 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 7.3 mp -55.79 -61.76 5.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.216 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 11.5 Cg_endo -55.12 -23.05 34.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.529 2.153 . . . . 0.0 112.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -26.22 52.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.521 HG13 HD11 ' A' ' 60' ' ' LEU . 25.9 t -56.23 -26.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.334 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -48.89 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -58.61 -32.04 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.03 -49.77 47.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.02 -32.39 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.696 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -75.24 -46.86 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.765 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.597 HD11 ' HA ' ' A' ' 57' ' ' LEU . 12.5 mt -61.61 -48.1 82.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -64.64 -44.95 88.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.005 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -60.69 -50.43 73.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.993 HD13 HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.39 -42.71 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -63.7 -40.89 97.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 mt -70.77 -39.7 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.93 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -50.88 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 12.3 pt-20 -60.27 -47.6 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.768 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.61 -34.2 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.028 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m -71.03 -37.05 72.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.67 86.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 6.3 m95 -64.62 -16.84 63.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.2 29.68 4.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.861 0.362 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 58.2 107.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.026 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -160.08 29.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 58.11 72.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 4.1 t90 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.904 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.622 ' H ' HD21 ' A' ' 5' ' ' LEU . 3.3 tttt -103.82 168.28 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.1 p -77.36 -25.1 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.7 -56.79 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.332 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.622 HD21 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -64.62 -36.85 85.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.996 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.0 -36.78 77.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -31.11 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.91 -51.93 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -63.75 -50.41 69.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.002 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -48.37 81.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.016 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.41 -33.89 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.8 -47.01 79.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.556 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.36 -41.79 76.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.979 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.749 ' HB2' HD11 ' A' ' 83' ' ' LEU . 3.9 tp -62.74 -50.28 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.23 86.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.288 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -61.63 -54.07 47.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.15 -29.95 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.674 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -68.0 -47.87 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.75 -38.95 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -35.9 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.586 ' HB3' HD11 ' A' ' 50' ' ' LEU . 28.1 t -106.93 13.84 27.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.395 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -61.2 -54.63 51.67 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.669 0.271 . . . . 0.0 111.243 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 84.3 Cg_endo -82.39 50.22 3.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.732 2.288 . . . . 0.0 112.838 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 24' ' ' VAL . 38.6 t -122.56 -5.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.686 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -58.4 -26.33 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.798 0.333 . . . . 0.0 111.223 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.75 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -123.16 26.24 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.184 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB1' ' H ' ' A' ' 47' ' ' GLN . . . -60.02 122.64 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -149.31 140.05 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -109.0 149.38 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.48 172.67 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.55 2.02 55.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.55 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.76 21.42 7.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -69.08 142.22 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.98 123.3 44.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -21.42 62.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -89.73 -26.31 20.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.288 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.2 -23.15 18.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.372 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 31.4 m-85 -112.94 157.61 21.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.048 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.424 ' HG2' ' CE1' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -81.53 174.77 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.796 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.7 p -72.72 -29.73 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.43 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.02 89.18 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.1 p -112.78 -28.17 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.428 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 68.8 p -130.66 173.35 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 28' ' ' ALA . 16.1 mt -61.94 -45.22 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.537 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 4.1 pt20 -67.09 -33.1 74.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.762 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -71.43 -33.27 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -46.57 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 21' ' ' CYS . 9.5 mt -63.2 -49.16 75.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.68 -36.89 79.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.62 -41.55 83.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.0 96.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.799 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.89 99.75 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.147 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.62 -41.62 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.615 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.68 -35.5 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.629 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.603 HD13 HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.44 -47.44 79.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.95 85.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.641 ' HG ' HG13 ' A' ' 72' ' ' VAL . 2.5 tt -65.03 -45.58 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -66.48 -33.02 74.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -77.09 -30.92 55.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.729 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.631 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -65.55 -48.6 71.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 61' ' ' ARG . 19.5 m -52.83 -29.42 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.189 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.05 -30.22 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.3 21.37 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 60.3 40.49 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.631 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 10.8 mt-30 -98.65 37.47 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.735 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.8 mm? -46.04 -61.63 2.4 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.549 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 9.8 Cg_endo -51.15 -28.89 26.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -30.86 48.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.641 HG13 ' HG ' ' A' ' 60' ' ' LEU . 23.5 t -63.58 -33.61 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.51 94.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.492 ' CB ' HD12 ' A' ' 60' ' ' LEU . 4.6 mt -69.58 -36.49 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.39 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.54 -44.43 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 40' ' ' GLN . 5.7 t-160 -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.77 -41.58 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.9 84.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.57 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -55.47 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -60.19 -36.56 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.5 -47.15 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.642 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.75 -43.02 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.0 mt -66.02 -49.47 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.11 -33.51 70.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -69.33 -45.86 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 1.3 tp10 -60.38 -46.24 90.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.2 86.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -66.22 -30.51 70.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.63 -57.31 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.224 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 13.7 m95 -57.34 -26.21 60.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -74.52 -7.83 54.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.432 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 tp -97.59 30.31 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.77 0.319 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -164.3 30.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.52 107.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 15.9 t90 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.897 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.808 0.337 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.495 ' N ' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -170.33 169.93 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.4 m -75.82 -37.18 59.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.03 38.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.495 HD21 ' N ' ' A' ' 2' ' ' LYS . 2.4 pp -64.12 -37.86 88.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' O ' HD13 ' A' ' 10' ' ' LEU . 12.5 mt -66.51 -27.7 67.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -52.43 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.125 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -60.47 -34.88 74.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -51.98 16.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.953 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 6' ' ' LEU . 6.9 mp -59.06 -53.16 61.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.013 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -69.05 -33.92 74.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.07 -45.08 96.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.571 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HB3' HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -76.24 -43.78 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 14' ' ' LEU . 2.8 tt -61.03 -33.24 72.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.21 -51.9 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -63.17 -48.65 77.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD22 HG21 ' A' ' 86' ' ' ILE . 1.5 tt -60.06 -50.1 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -63.14 -35.51 80.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.31 -43.32 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -34.53 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -92.95 13.7 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -60.09 -54.5 54.65 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.4 Cg_endo -83.87 47.34 2.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.857 2.371 . . . . 0.0 112.687 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 24' ' ' VAL . 18.8 t -122.7 10.93 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.66 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 t -60.61 -31.37 70.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -72.19 -44.12 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -105.18 26.27 9.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -71.42 124.14 23.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.7 m -149.17 138.61 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 44' ' ' THR . 66.5 mt -107.68 149.26 28.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -61.04 172.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.54 -0.4 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.609 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.62 21.4 9.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.674 0.273 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -69.64 135.56 50.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -116.06 119.11 34.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -56.26 -23.27 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.289 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -69.24 -29.09 66.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.101 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 ' HB1' ' A' ' 81' ' ' ALA . 16.7 mt -107.47 -23.41 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.189 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CE2' ' HB1' ' A' ' 85' ' ' ALA . 1.8 m-85 -112.98 150.12 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 169.67 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 p -63.48 -24.77 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.34 19.55 9.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.247 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.21 75.9 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.654 ' C ' HD12 ' A' ' 30' ' ' LEU . 32.9 p -113.09 -28.35 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 p -125.73 168.05 14.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.8 mt -60.03 -55.08 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.062 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -61.67 -29.07 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.69 -53.6 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -62.27 -39.35 92.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 50' ' ' LEU . 6.1 mt -61.85 -46.91 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.58 -40.64 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.03 -39.61 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.545 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -62.59 -45.22 93.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.0 -37.33 93.69 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.213 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -31.93 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.84 -56.31 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.3 pp -60.52 -38.84 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.656 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.463 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.09 -46.61 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.62 70.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.769 HD11 HG13 ' A' ' 72' ' ' VAL . 6.4 tp -66.71 -48.48 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.73 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -60.95 -43.41 98.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.18 -26.88 60.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.643 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -54.3 -26.8 31.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.341 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 61' ' ' ARG . 29.0 m -52.67 -28.62 13.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.22 -30.78 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.11 -4.33 58.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.386 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 63.82 49.5 2.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.643 ' CG ' ' HB1' ' A' ' 63' ' ' ALA . 3.7 pt20 -117.32 37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.7 mm? -47.94 -50.15 55.16 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.408 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 74.5 Cg_exo -49.28 -26.5 11.53 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.404 2.07 . . . . 0.0 112.373 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.599 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -73.12 -24.24 60.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.769 HG13 HD11 ' A' ' 60' ' ' LEU . 36.3 t -54.72 -30.57 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.205 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.1 61.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -64.23 -35.02 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.718 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.27 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.51 -43.4 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -62.78 -37.25 85.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.679 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.82 -46.41 90.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.679 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.81 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.682 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -59.63 -35.15 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.545 HE21 ' HB2' ' A' ' 53' ' ' ALA . 2.2 tt0 -66.92 -41.25 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.714 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 13' ' ' GLN . 0.4 OUTLIER -59.78 -49.17 78.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.725 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.36 -36.87 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.733 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.624 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -60.24 -44.41 95.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.473 HG21 HD22 ' A' ' 17' ' ' LEU . 34.8 mt -65.46 -38.85 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.84 -31.34 70.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -47.01 67.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.72 75.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.755 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 98' ' ' TRP . . . -59.89 -36.53 77.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t -73.38 -32.26 64.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.11 -59.76 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -58.67 -30.57 67.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -99.63 -175.47 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 tp -129.13 32.67 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -177.44 46.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 42.37 93.99 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.623 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.606 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.963 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.809 0.338 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.667 ' HB3' HD12 ' A' ' 5' ' ' LEU . 16.3 tttt -147.78 145.79 28.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m -62.58 -40.17 96.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.16 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.667 HD12 ' HB3' ' A' ' 2' ' ' LYS . 1.4 mt -60.49 -40.45 91.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.47 -30.91 68.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -52.36 44.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.54 -36.11 82.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -68.1 -57.59 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.96 -46.48 89.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.51 -35.81 75.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.43 50.57 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.28 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.667 ' HB2' HD11 ' A' ' 83' ' ' LEU . 6.2 tt -67.46 -38.06 83.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -47.76 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -65.54 -37.74 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.432 HD21 HG22 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -73.74 -39.72 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.698 ' HA ' HD21 ' A' ' 50' ' ' LEU . 5.1 ttt-85 -65.01 -33.92 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.39 -34.28 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -36.64 57.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.841 ' O ' HG22 ' A' ' 24' ' ' VAL . 7.7 m -101.23 13.8 33.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.52 -55.15 15.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.699 0.285 . . . . 0.0 111.447 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 72.0 Cg_endo -86.7 39.11 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.856 2.371 . . . . 0.0 113.315 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 21' ' ' CYS . 23.6 m -122.65 18.68 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 p -69.81 -29.3 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -70.07 -37.16 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -119.34 26.24 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -71.24 124.15 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.498 ' HA ' HG22 ' A' ' 45' ' ' THR . 4.4 t -147.67 128.96 14.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 30' ' ' LEU . 5.4 mt -94.48 149.33 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 t -68.86 175.82 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.68 2.07 52.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.559 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.01 21.37 6.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.689 0.281 . . . . 0.0 111.225 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -68.37 138.24 55.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.08 130.14 56.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -22.95 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.8 42.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.164 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.64 -24.08 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.366 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -112.99 164.95 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 174.7 6.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -66.66 -25.77 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 21.52 7.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.99 84.42 2.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 45' ' ' THR . 23.3 p -129.48 13.77 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.252 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -164.27 169.53 17.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 111.034 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.24 -55.04 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB2' ' OG1' ' A' ' 45' ' ' THR . . . -62.45 -48.47 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.776 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -65.06 -34.25 77.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 179.738 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 18' ' ' ARG . 1.7 tp -64.27 -45.74 86.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -64.24 -40.26 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.07 -40.91 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.611 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -65.67 -42.28 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.29 -37.86 94.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.202 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.09 -33.27 59.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.522 ' HB3' HD11 ' A' ' 79' ' ' LEU . 22.5 m-20 -67.85 -49.52 61.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.658 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.8 pp -67.72 -36.54 80.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.616 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -50.91 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.828 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.004 HD11 HG13 ' A' ' 72' ' ' VAL . 5.2 tp -66.98 -45.94 76.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.712 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.769 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.44 -42.14 95.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.644 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -76.83 -26.83 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.77 -29.14 53.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.382 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.7 m -56.11 -28.86 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.253 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -30.51 63.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 15.71 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 54.27 49.18 19.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.863 0.364 . . . . 0.0 111.124 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.898 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 2.7 mt-30 -98.3 37.38 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 3.9 mm? -53.11 -59.48 9.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.479 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 10.7 Cg_endo -54.12 -24.42 33.1 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.481 2.121 . . . . 0.0 112.373 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -26.01 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.004 HG13 HD11 ' A' ' 60' ' ' LEU . 25.9 t -60.76 -29.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.186 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.08 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.277 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -49.35 65.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.4 -30.31 68.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.4 -54.22 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -32.42 72.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -69.07 -47.17 65.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 56' ' ' ASN . 3.4 mt -65.83 -46.46 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.005 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.85 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.52 -56.58 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.457 HE21 ' HB2' ' A' ' 53' ' ' ALA . 12.8 pt20 -61.06 -45.59 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 14' ' ' LEU . 1.9 tt -57.27 -44.19 83.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.057 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -46.47 89.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.466 HD11 ' SG ' ' A' ' 49' ' ' CYS . 13.4 mt -63.41 -46.34 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.31 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.202 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -49.01 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.22 89.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m -69.07 -31.45 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.23 -51.91 52.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.461 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 10.0 m95 -59.22 -26.45 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -65.85 -15.24 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.542 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 mt -109.72 30.78 6.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.705 0.288 . . . . 0.0 111.27 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.62 29.83 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.18 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.21 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.051 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.461 ' CZ3' ' CD1' ' A' ' 93' ' ' TRP . 3.4 t90 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.742 ' HB3' HD21 ' A' ' 5' ' ' LEU . 32.1 mttm -153.96 30.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -77.7 -26.16 49.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.86 15.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.319 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.742 HD21 ' HB3' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -61.58 -31.63 71.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.03 -51.1 63.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.44 -34.17 65.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -64.16 -42.98 96.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -40.45 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.22 -42.12 80.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.82 -37.37 84.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.997 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.43 -49.56 55.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -39.22 76.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.43 -30.42 69.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.74 -52.25 18.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -36.16 80.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -42.55 76.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 1.4 ttt180 -68.65 -25.88 65.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.66 -42.85 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -81.24 -42.12 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG13 ' A' ' 24' ' ' VAL . 75.4 m -91.39 13.86 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.503 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -57.55 -61.66 6.82 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 98.4 Cg_endo -78.7 62.7 8.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 112.374 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 21' ' ' CYS . 35.2 m -113.73 -21.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -51.77 -26.04 8.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.71 0.29 . . . . 0.0 111.305 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.97 -51.76 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -116.12 26.23 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 123.86 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.5 t -147.11 126.88 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 44' ' ' THR . 10.5 mt -101.73 149.27 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.14 176.44 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.47 2.02 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.66 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -84.96 5.11 30.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -59.2 136.91 58.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.54 129.98 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.786 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -67.2 -13.67 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.388 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -70.98 -39.06 72.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 111.257 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -19.46 12.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.349 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -117.36 158.38 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -96.53 163.98 12.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.2 t -63.95 -23.18 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -20.96 62.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.33 93.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.452 ' C ' HD12 ' A' ' 30' ' ' LEU . 28.7 p -106.6 -31.69 8.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 p -150.45 179.27 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.51 -39.99 77.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.742 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.58 -38.37 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.1 m -62.11 -48.08 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.535 HD22 ' HG3' ' A' ' 18' ' ' ARG . 9.2 mt -64.34 -48.81 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.725 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -60.89 -36.65 79.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.25 -44.12 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.71 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.63 97.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -62.57 -39.67 98.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.248 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.82 -31.8 57.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.686 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.06 -48.82 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.2 pp -66.16 -41.18 90.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.789 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -61.77 -48.8 79.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.05 67.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' CD1' HG13 ' A' ' 72' ' ' VAL . 2.5 tp -64.57 -49.73 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.797 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -68.43 -33.84 74.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -76.75 -26.86 55.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.853 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -53.43 -29.51 35.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.476 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.8 m -59.13 -34.65 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.01 -24.94 58.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -95.14 21.39 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 56.82 38.54 29.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.904 0.383 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.853 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 75.3 mm-40 -109.08 37.38 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 71.0 mt -54.8 -56.32 28.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.404 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 20.2 Cg_endo -60.73 -26.45 83.01 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.342 2.028 . . . . 0.0 112.284 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -73.62 -28.13 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 68' ' ' GLN . 21.8 t -57.0 -29.1 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.61 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -51.44 56.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 71' ' ' GLN . 1.7 mp -59.78 -33.58 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.54 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.99 -35.7 75.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -34.83 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.61 -45.1 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.58 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.92 -32.52 73.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.62 -49.53 65.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.41 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.85 -47.2 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mt -64.64 -41.65 92.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.14 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -61.28 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 5.0 mt-10 -60.32 -49.93 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.14 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -36.44 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.96 -53.43 20.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 10.8 m95 -63.41 -17.54 62.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 p -49.45 167.99 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.813 0.34 . . . . 0.0 111.215 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.33 33.92 16.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.11 28.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 57.06 31.49 20.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 66.8 t90 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.95 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.89 0.376 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.403 ' HB3' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER 60.74 97.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.443 ' HA ' HD21 ' A' ' 6' ' ' LEU . 63.3 p -64.18 -27.56 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.91 -28.7 68.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.197 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 2' ' ' LYS . 16.2 mt -73.9 -53.47 10.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.02 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 7' ' ' LEU . 3.8 pp -62.24 -30.17 70.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -60.99 -43.59 98.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -60.12 -40.77 90.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -45.98 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.47 -34.63 74.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.53 -49.48 32.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.45 -50.7 62.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.561 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -40.54 95.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HB2' HD11 ' A' ' 83' ' ' LEU . 51.3 tp -66.49 -46.59 75.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.2 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.3 m -67.94 -40.16 83.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.6 tp -68.44 -37.23 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.69 -30.34 62.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.47 -34.78 41.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.33 -40.29 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.47 ' O ' HD22 ' A' ' 50' ' ' LEU . 70.9 m -91.94 13.73 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.401 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.83 -60.45 7.23 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.677 0.275 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 86.1 Cg_endo -80.08 53.73 4.88 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.65 2.233 . . . . 0.0 112.585 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 24' ' ' VAL . 21.3 t -122.68 5.36 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.71 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -29.25 70.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.795 0.331 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -73.59 -30.59 63.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.73 26.4 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -78.01 122.77 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.29 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.659 ' H ' HD12 ' A' ' 46' ' ' LEU . 56.0 m -149.34 125.56 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 30' ' ' LEU . 7.2 mt -98.1 148.63 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 t -78.26 176.56 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.37 2.0 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -94.26 21.34 7.07 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -63.96 143.07 58.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.54 127.93 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -27.05 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.97 -28.27 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.3 mt -90.89 -30.83 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 25.3 m-85 -113.1 164.92 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.008 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.4 174.75 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 p -66.44 -28.17 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.34 21.4 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.281 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.694 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . . . -110.58 96.35 6.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.044 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -128.26 3.72 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.524 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.434 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 48.7 p -156.79 176.41 12.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.08 -54.42 47.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -32.34 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 43' ' ' ALA . . . -63.51 -42.47 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.4 m -67.16 -37.78 84.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 21' ' ' CYS . 2.1 tp -63.12 -48.97 76.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -32.58 74.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.617 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.43 87.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.613 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.02 99.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.4 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -62.95 -39.14 97.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.334 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -32.03 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.637 ' OD1' HD23 ' A' ' 75' ' ' LEU . 3.5 m-80 -69.46 -47.41 64.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.782 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.1 pp -68.51 -39.25 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.776 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.521 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -60.9 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.2 -29.48 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.773 ' HG ' HG13 ' A' ' 72' ' ' VAL . 6.8 tt -67.83 -46.09 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.778 ' O ' HG22 ' A' ' 64' ' ' VAL . 3.5 ttt180 -67.76 -35.89 79.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.723 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.12 -30.5 55.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.77 ' HB1' ' HB3' ' A' ' 68' ' ' GLN . . . -58.6 -44.25 89.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.296 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.0 m -56.35 -28.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.207 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.502 ' OE1' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -75.03 -31.0 61.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.98 21.34 10.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 59.34 40.8 20.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.77 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -98.26 37.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.995 0.426 . . . . 0.0 110.713 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 5.0 mt -46.75 -54.1 21.61 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.663 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 17.6 Cg_endo -58.07 -28.01 81.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.96 . . . . 0.0 112.237 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.426 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -78.23 -31.57 49.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.773 HG13 ' HG ' ' A' ' 60' ' ' LEU . 33.0 t -60.93 -34.6 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.79 88.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -69.21 -48.6 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.637 HD23 ' OD1' ' A' ' 56' ' ' ASN . 1.3 mt -64.53 -30.52 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.21 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.22 -30.01 70.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.68 -43.2 85.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.85 92.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.78 72.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -69.46 -48.87 59.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -60.2 -43.02 96.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 83' ' ' LEU . 11.9 mt -62.77 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.44 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -54.23 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -64.87 -35.09 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.51 -38.28 89.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m -76.15 -27.29 56.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.57 -60.28 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.298 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 7.4 m95 -56.96 -31.06 64.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.62 152.52 28.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 tp -96.53 52.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 25.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 54.89 59.58 3.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.862 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -147.37 157.11 43.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -77.78 -26.85 50.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.68 -56.42 21.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.283 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.782 HD12 ' N ' ' A' ' 6' ' ' LEU . 4.4 pp -58.35 -30.33 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.782 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.4 mt -64.68 -48.73 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.61 -35.71 81.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.81 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.65 -47.32 75.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -60.96 -39.64 90.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -60.25 -53.11 61.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.4 -44.86 95.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.65 -45.64 94.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.566 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -70.37 -44.26 68.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -58.08 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.39 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -63.55 -37.2 86.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.75 -38.48 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.771 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -72.61 -26.02 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -47.27 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.112 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -81.36 -37.75 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -91.73 13.78 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.501 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.844 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -63.07 -61.82 6.72 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.844 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 78.9 Cg_endo -77.39 63.68 7.87 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.175 . . . . 0.0 112.383 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 29.9 m -120.94 -5.55 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -58.0 -25.32 60.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.722 0.296 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -62.86 -51.71 65.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.08 26.29 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -73.7 122.61 22.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.3 131.93 15.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 30' ' ' LEU . 13.2 mt -108.97 143.13 38.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.8 p -61.64 156.6 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.92 2.03 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.653 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 21.46 8.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 111.211 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -63.36 154.91 30.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.071 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' HB3' HD12 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -121.63 112.22 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.4 -25.55 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.351 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.71 -25.57 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.167 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 35' ' ' ASP . 4.2 mt -109.05 -24.61 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.263 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -114.3 164.93 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.405 ' OE1' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -90.95 174.73 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -68.31 -30.57 69.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -20.85 57.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 88.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -116.05 -33.25 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.431 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 44.4 p -143.13 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' ALA . 37.3 mt -58.33 -49.29 77.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -36.93 76.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -66.13 -36.25 82.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -66.34 -42.56 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.47 -49.33 77.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.74 -31.57 72.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -55.82 18.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.704 ' HB3' HH21 ' A' ' 18' ' ' ARG . . . -59.63 -38.6 81.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.26 -39.57 97.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -35.43 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.767 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -68.48 -45.01 73.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.36 -31.53 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' ' 75' ' ' LEU . 8.3 tt -68.13 -50.71 52.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.829 ' O ' HG22 ' A' ' 64' ' ' VAL . 9.0 ttt180 -64.55 -35.04 79.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.01 -28.67 55.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.9 80.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.435 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.8 m -54.91 -29.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.318 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.65 -29.43 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -96.17 21.41 8.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 60.86 40.65 15.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -108.53 37.35 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 30.7 mt -52.67 -44.33 95.07 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.434 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.3 Cg_exo -57.36 -35.54 98.87 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.289 1.993 . . . . 0.0 112.236 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.46 -29.72 69.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.28 -29.25 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.92 -51.75 66.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -48.31 68.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.723 ' HB2' HD12 ' A' ' 60' ' ' LEU . 5.5 mt -60.33 -37.87 81.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.72 -53.04 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.405 ' CE1' ' OE1' ' A' ' 40' ' ' GLN . 1.9 t-160 -65.77 -43.86 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.437 ' HB3' HD21 ' A' ' 10' ' ' LEU . 12.0 mt -61.99 -48.73 79.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.16 77.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -69.83 -52.31 26.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -60.45 -43.72 96.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.83 -38.95 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.27 92.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 83' ' ' LEU . 7.7 mt -62.75 -38.79 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.74 79.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -69.28 -52.6 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -60.73 -43.63 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.02 85.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -69.27 -31.55 70.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.7 -54.4 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.403 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 13.2 m95 -59.42 -29.02 67.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t -58.05 162.52 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.4 tp 60.7 28.28 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -162.37 29.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 51.55 27.92 4.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.204 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.934 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.771 0.319 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' HD13 ' A' ' 5' ' ' LEU . 8.3 tttt -70.68 164.51 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -31.46 66.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.34 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.561 HD13 ' N ' ' A' ' 2' ' ' LYS . 5.4 mp -60.31 -52.93 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mt -61.37 -34.7 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.727 HD11 ' HG3' ' A' ' 61' ' ' ARG . 3.9 tp -66.7 -52.46 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.99 -43.76 98.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -60.05 -55.81 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.05 -33.67 72.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.44 -47.06 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.95 -44.34 98.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.86 -53.54 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -36.19 74.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.95 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -34.28 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.875 HD22 HD23 ' A' ' 83' ' ' LEU . 5.0 tp -71.55 -29.91 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.683 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.24 -48.66 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.029 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -29.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -81.31 -35.63 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.159 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.815 ' O ' HG22 ' A' ' 24' ' ' VAL . 73.4 m -105.73 13.9 29.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.494 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.44 -58.22 9.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.584 0.231 . . . . 0.0 111.415 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 70.7 Cg_endo -86.32 41.76 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.779 2.319 . . . . 0.0 113.149 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 21' ' ' CYS . 22.9 m -122.73 6.6 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.09 -31.06 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -120.74 26.26 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.043 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -79.28 127.49 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.5 m -148.26 125.53 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 45' ' ' THR . 10.7 mt -105.13 149.32 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.89 158.17 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.87 -2.17 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.601 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -96.24 21.43 8.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.726 0.298 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -62.67 143.66 57.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 128.44 52.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -63.12 -18.35 63.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.353 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.56 -32.34 71.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.735 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 3.2 pp -109.93 -23.09 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -112.97 164.82 12.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -78.46 152.56 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 m -57.29 -30.77 64.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -102.31 21.49 14.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.217 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 49' ' ' CYS . . . -97.39 96.08 8.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.7 -7.57 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.498 ' N ' HD12 ' A' ' 30' ' ' LEU . 28.8 p -142.07 168.6 19.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.992 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 28' ' ' ALA . 20.8 mt -59.91 -49.27 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -35.98 81.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.09 -53.71 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 86' ' ' ILE . 27.5 p -66.89 -37.18 83.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 18' ' ' ARG . 24.7 tp -62.28 -47.1 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.12 -47.68 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.636 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.39 -36.86 85.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.5 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.62 -29.81 72.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.335 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.21 -58.09 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.793 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.615 ' OD1' HD21 ' A' ' 79' ' ' LEU . 10.2 p30 -65.44 -32.25 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.745 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -51.1 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.54 71.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 75' ' ' LEU . 64.3 tp -65.27 -54.34 30.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.751 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.729 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -59.08 -36.8 75.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -76.86 -26.89 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.786 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.86 -26.87 38.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.317 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 61' ' ' ARG . 27.8 m -53.25 -30.13 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.253 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.05 -29.89 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.81 18.05 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 53.62 57.27 6.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.786 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 15.2 mt-30 -110.3 36.37 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 4.3 mt -58.25 -44.06 98.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.407 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 37.7 Cg_exo -60.71 -29.12 87.71 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 0.0 112.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -26.2 47.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' A' ' 76' ' ' ALA . 40.2 t -56.94 -30.3 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.01 -53.03 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -48.34 75.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 60' ' ' LEU . 6.4 mt -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 72' ' ' VAL . . . -63.44 -53.21 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -40.38 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.19 -51.07 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.615 HD21 ' OD1' ' A' ' 56' ' ' ASN . 6.4 mt -58.93 -46.95 86.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.36 78.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -67.97 -36.34 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -62.86 -56.3 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.875 HD23 HD22 ' A' ' 17' ' ' LEU . 3.9 mt -57.38 -39.23 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -40.45 96.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.48 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 17' ' ' LEU . 27.8 mm -64.08 -48.91 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.86 89.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -60.71 -42.56 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 7.5 mt-10 -63.04 -48.44 78.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.768 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.23 82.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -30.05 68.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.22 94.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.403 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 10.1 m95 -59.84 -34.07 72.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -59.43 134.26 56.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.691 HD23 ' O ' ' A' ' 95' ' ' LEU . 1.7 tt 60.61 41.24 15.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -157.74 27.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.78 110.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.824 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.783 0.325 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.97 132.85 39.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -77.86 -25.89 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.7 -56.88 15.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.445 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 6' ' ' LEU . 4.6 pp -56.82 -29.78 63.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.051 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.2 mt -78.16 -35.09 49.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -71.96 -41.57 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.68 -30.65 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -54.83 7.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.055 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 11' ' ' GLU . 4.1 pp -59.51 -31.12 69.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.625 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -75.59 -48.18 23.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.71 94.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.714 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -70.52 -47.0 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 111.035 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.998 HD11 ' HB1' ' A' ' 53' ' ' ALA . 7.0 tt -57.28 -44.45 84.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.18 -52.18 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.301 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -60.98 -38.57 86.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -38.05 64.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.209 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.735 ' HG2' HD13 ' A' ' 50' ' ' LEU . 3.1 tmt_? -69.62 -37.3 76.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.18 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.19 -28.42 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.2 -45.42 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.05 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.35 13.79 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.277 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.654 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -56.24 -50.65 86.3 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.483 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 98.3 Cg_endo -85.09 26.68 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.775 2.317 . . . . 0.0 113.127 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 24' ' ' VAL . 17.2 t -108.37 22.87 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 111.204 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 1.4 m -73.09 -30.76 63.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.952 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.34 -35.1 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -112.86 26.21 10.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -76.1 122.75 24.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 m -149.25 126.67 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 45' ' ' THR . 6.6 mt -102.3 143.41 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 172.68 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.42 1.99 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.572 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -95.85 21.41 8.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.734 0.302 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 28.9 p90 -62.4 135.44 57.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.99 130.04 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -63.69 -23.2 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.86 -35.41 32.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD22 ' HB1' ' A' ' 81' ' ' ALA . 73.5 mt -86.68 -30.14 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -123.09 164.87 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.29 173.08 8.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 t -67.96 -22.3 65.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -95.02 21.47 7.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.193 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.05 90.69 3.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.843 0.354 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -129.37 13.84 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.64 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -158.18 165.18 35.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 28' ' ' ALA . 49.6 mt -59.66 -53.85 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.521 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -62.58 -31.27 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.717 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -33.11 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -54.54 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.735 HD13 ' HG2' ' A' ' 18' ' ' ARG . 3.8 pp -60.86 -43.1 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.733 ' N ' HD12 ' A' ' 50' ' ' LEU . 7.1 t0 -63.32 -45.25 92.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.66 -39.76 85.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.657 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.998 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -61.76 -44.2 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.805 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.567 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.12 -39.07 96.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.133 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -31.68 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.652 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.84 -52.84 25.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.693 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HA2' ' A' ' 54' ' ' GLY . 3.5 pp -62.32 -35.61 79.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.522 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -62.28 -47.34 84.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.94 72.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 75' ' ' LEU . 8.3 tt -67.16 -41.13 86.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.796 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -67.72 -40.6 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.728 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.87 -26.88 54.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -55.18 -29.32 57.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.796 HG22 ' O ' ' A' ' 61' ' ' ARG . 34.6 m -58.26 -30.68 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.59 -28.85 63.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -96.26 21.29 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 54.4 37.9 28.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.564 ' HB2' ' HB1' ' A' ' 63' ' ' ALA . 16.1 mt-30 -97.6 37.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.7 mt -55.62 -44.67 99.77 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.8 Cg_exo -58.49 -29.9 90.08 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.325 2.016 . . . . 0.0 112.239 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -29.76 53.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.517 HG13 ' CG ' ' A' ' 60' ' ' LEU . 28.4 t -57.9 -30.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.83 92.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -50.72 42.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.779 ' HB2' HD12 ' A' ' 60' ' ' LEU . 5.3 mt -59.88 -40.23 88.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.96 -53.32 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.8 -35.61 76.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -68.32 -43.16 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.04 -47.18 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -67.09 -32.63 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.569 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -65.92 -50.11 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.672 HD21 ' CB ' ' A' ' 14' ' ' LEU . 11.2 mt -65.51 -47.08 77.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -37.16 76.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.2 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.455 HD11 ' OE1' ' A' ' 82' ' ' GLN . 8.4 mt -68.86 -48.87 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.16 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.95 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 11.4 mt-10 -64.78 -49.68 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.96 -50.57 73.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.1 m -65.69 -30.92 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.37 -47.01 87.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 11.0 m95 -58.73 -26.75 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.95 166.58 0.73 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 60.72 34.54 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.796 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -176.85 38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 63.21 102.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.5 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.06 176.51 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -60.42 -34.8 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.31 97.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.39 -32.03 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.44 -50.06 66.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -43.95 90.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -41.53 98.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -72.11 -47.46 51.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -62.04 -53.14 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.32 -32.56 70.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 16' ' ' THR . . . -69.05 -41.42 81.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.653 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 83' ' ' LEU . 17.6 mm-40 -76.28 -50.67 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.06 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.905 HD11 ' HB1' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -57.99 -33.93 69.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.34 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 17' ' ' LEU . 11.4 t -64.21 -47.56 79.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.263 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' HG23 ' A' ' 16' ' ' THR . 4.8 tp -61.36 -46.63 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.762 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 2.0 ttp180 -65.91 -26.55 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -59.78 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.31 -33.84 63.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.621 ' O ' HG22 ' A' ' 24' ' ' VAL . 1.8 t -91.81 13.86 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.557 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.843 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.31 -61.78 4.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-O 120.63 0.253 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 95.4 Cg_endo -78.53 59.77 7.31 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.561 2.174 . . . . 0.0 112.541 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.648 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 34.8 m -122.55 18.65 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.467 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 m -64.34 -26.21 68.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -78.27 -35.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.159 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.19 26.2 10.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -82.76 123.93 29.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.212 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 m -149.29 135.74 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 44' ' ' THR . 8.8 mt -104.4 149.33 25.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 t -62.79 175.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.19 -2.36 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.555 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.94 21.35 8.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -62.13 126.65 28.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.04 130.04 53.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -67.06 -25.91 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -37.27 40.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.9 -31.09 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.014 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HZ ' ' HB1' ' A' ' 85' ' ' ALA . 27.3 m-85 -114.4 150.49 34.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -74.33 168.74 19.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.5 p -59.56 -39.26 83.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -75.04 -20.93 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 83.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.569 ' C ' HD12 ' A' ' 30' ' ' LEU . 73.4 p -111.67 -26.77 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.03 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -133.9 -179.7 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 28' ' ' ALA . 45.0 mt -59.23 -49.92 76.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.045 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -57.35 -31.83 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.914 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.36 -39.72 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -45.86 89.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.739 HD13 ' HA ' ' A' ' 18' ' ' ARG . 15.5 mt -64.67 -48.48 74.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.86 -39.81 82.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -42.45 99.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.905 ' HB1' HD11 ' A' ' 14' ' ' LEU . . . -60.18 -43.75 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -61.33 -41.95 99.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.337 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -69.71 -31.24 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.88 -51.08 24.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.1 pp -66.24 -44.9 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.73 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -61.74 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -61.32 -28.84 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.805 HD11 HG13 ' A' ' 72' ' ' VAL . 3.6 tp -69.4 -43.86 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.804 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -63.05 -45.08 93.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -76.9 -26.8 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 59' ' ' ALA . . . -56.07 -31.61 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.483 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.8 m -56.42 -30.1 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.302 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.65 -25.25 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -100.41 21.33 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 54.46 51.84 13.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.543 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -97.16 37.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 1.5 mt -52.8 -52.39 65.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.498 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 35.2 Cg_endo -64.73 -24.45 61.99 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.378 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -26.98 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.805 HG13 HD11 ' A' ' 60' ' ' LEU . 23.0 t -55.73 -31.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.61 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -49.91 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.593 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -59.4 -31.56 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.5 -53.46 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.51 -35.89 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -64.99 -42.07 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 57' ' ' LEU . 15.1 mt -67.65 -46.75 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.28 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.18 98.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -55.8 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.0 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -53.66 -48.54 69.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -47.85 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.044 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB1' ' HZ ' ' A' ' 39' ' ' PHE . . . -57.99 -43.02 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.9 -48.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.47 66.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -52.5 13.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.19 -46.99 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.54 77.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -67.83 -30.1 69.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.58 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -59.3 -31.12 68.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -64.88 -19.91 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 mt -98.34 29.93 3.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.03 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.49 37.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.19 164.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.861 0.362 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 144.43 44.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.7 ' O ' HD12 ' A' ' 7' ' ' LEU . 68.7 p -62.1 -41.51 98.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.26 94.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -46.4 89.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.42 -38.12 68.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 3' ' ' THR . 0.5 OUTLIER -68.09 -30.3 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -55.96 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -58.71 -42.74 89.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' HB3' HD13 ' A' ' 83' ' ' LEU . 5.7 mp -59.78 -53.07 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.023 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.21 -40.73 95.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.77 -44.72 79.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.652 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.03 -42.23 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' A' ' 83' ' ' LEU . 32.2 tp -61.71 -41.97 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -52.22 62.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.228 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.7 m -65.13 -42.88 93.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.69 -43.08 85.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.821 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 41.5 ttt180 -68.2 -26.04 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.63 -57.76 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -41.22 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.471 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -89.04 13.89 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.62 -179.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 18' ' ' ARG . . . -61.49 -60.95 8.87 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 111.253 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 66.7 Cg_endo -73.78 62.84 4.79 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.605 2.203 . . . . 0.0 112.481 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 21' ' ' CYS . 30.4 m -121.96 15.36 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.4 p -62.25 -41.68 98.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -32.79 70.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.81 26.22 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB1' ' HB ' ' A' ' 45' ' ' THR . . . -76.67 125.23 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.292 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -149.33 133.28 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 44' ' ' THR . 9.4 mt -108.13 149.1 28.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -67.68 169.84 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.48 -6.22 56.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.641 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -95.28 21.39 8.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.69 0.281 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -59.88 142.61 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.55 130.06 56.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.675 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -68.86 -23.4 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -74.53 -33.51 62.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.213 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.449 HD22 ' HB1' ' A' ' 81' ' ' ALA . 73.4 mt -97.43 -29.95 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.203 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.447 ' CZ ' ' CB ' ' A' ' 85' ' ' ALA . 10.3 m-85 -113.49 165.03 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.41 164.92 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -63.08 -30.75 71.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -20.8 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.541 ' HB2' ' OE2' ' A' ' 52' ' ' GLU . . . -55.45 89.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.581 ' C ' HD12 ' A' ' 30' ' ' LEU . 50.6 p -113.74 -30.23 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 31.3 p -144.33 -179.64 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.19 -55.4 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.735 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -57.45 -44.44 84.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.7 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -68.34 -39.82 81.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.67 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -72.46 -34.08 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.02 -49.78 41.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.669 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.541 ' OE2' ' HB2' ' A' ' 43' ' ' ALA . 12.5 pt-20 -61.23 -47.04 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.636 ' HB2' ' NE2' ' A' ' 82' ' ' GLN . . . -60.15 -44.07 95.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . -63.34 -30.32 77.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.205 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -34.68 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.634 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -66.2 -49.42 67.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 58' ' ' ALA . 4.5 pp -65.71 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.79 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.872 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -70.02 -29.06 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 75' ' ' LEU . 6.6 tt -68.7 -37.14 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.779 ' O ' HG22 ' A' ' 64' ' ' VAL . 10.6 ttt85 -74.49 -40.72 61.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -76.92 -26.81 54.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 68' ' ' GLN . . . -54.26 -29.21 46.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.8 m -57.73 -31.08 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.157 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.98 -28.42 60.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.64 21.23 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.247 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 54.08 59.49 4.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 111.029 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.456 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -125.67 32.44 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 8.4 mp -55.29 -50.66 85.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 50.7 Cg_exo -53.13 -30.8 51.87 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.381 2.054 . . . . 0.0 112.234 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -23.8 51.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.49 -32.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.15 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -65.34 -52.01 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.446 ' CB ' HD12 ' A' ' 60' ' ' LEU . 1.1 mt -59.61 -36.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -48.18 82.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.74 -42.63 93.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -61.71 -38.26 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.607 HD11 ' HA ' ' A' ' 57' ' ' LEU . 14.1 mt -63.17 -44.78 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.01 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -62.37 -38.79 90.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.636 ' NE2' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -61.81 -45.99 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.7 -43.1 94.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -59.1 -42.19 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.55 -42.49 95.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.2 mt -66.6 -49.29 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.56 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -66.18 -48.92 69.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 25.6 mt-10 -66.55 -41.44 88.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.92 -54.77 40.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.248 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -65.71 -29.06 69.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.83 95.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.26 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 11.1 m95 -58.45 -31.32 67.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.6 p -95.68 153.2 17.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.08 28.23 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -166.53 32.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.16 116.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 6.9 t90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.882 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mptt 60.13 97.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -28.94 62.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.18 -30.65 66.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.78 -42.88 76.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.6 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 mm? -59.92 -42.63 94.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -50.26 57.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -38.98 82.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -77.21 -36.18 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -62.54 -53.07 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -59.51 -43.68 93.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.13 -49.14 68.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.54 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.03 -39.01 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -40.14 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -52.25 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -70.29 -41.04 73.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 86' ' ' ILE . 4.5 tp -62.73 -60.05 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -59.67 -30.44 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -55.92 23.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.604 HH12 HD12 ' A' ' 17' ' ' LEU . 2.9 ptt85 -75.63 -29.93 59.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.6 m -93.84 13.74 21.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.32 -56.59 12.46 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.746 0.308 . . . . 0.0 111.035 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 93.5 Cg_endo -83.75 48.43 2.59 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.792 2.328 . . . . 0.0 112.614 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 24' ' ' VAL . 21.2 t -122.6 5.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 p -62.04 -35.36 78.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.29 -34.72 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -115.58 26.17 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -85.61 126.86 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.437 ' HA ' HG22 ' A' ' 45' ' ' THR . 2.6 m -148.65 135.8 20.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.49 146.52 24.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.83 176.2 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.77 -2.2 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -96.19 21.35 9.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -61.53 137.73 58.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -115.6 130.02 56.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -26.74 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -30.8 53.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.77 HD22 ' HB1' ' A' ' 81' ' ' ALA . 34.8 mt -91.67 -32.37 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.8 152.4 32.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' OE1' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -79.35 164.15 24.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.472 HG22 ' OE1' ' A' ' 40' ' ' GLN . 10.3 t -63.26 -23.67 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -95.17 21.48 7.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.209 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . . . -117.34 103.96 10.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 45' ' ' THR . 0.9 OUTLIER -129.28 13.81 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' THR . 2.0 p -163.5 171.81 15.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.35 -50.62 73.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.427 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.793 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.54 ' HB1' ' HA ' ' A' ' 43' ' ' ALA . . . -65.58 -36.35 83.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.58 -43.5 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 47' ' ' GLN . 17.5 mt -61.35 -48.34 81.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.72 -42.85 99.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.61 -41.71 98.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.469 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -60.25 -45.25 93.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.19 -36.76 93.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.427 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.46 -31.63 62.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -65.78 -52.8 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.9 pp -65.96 -38.39 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -63.73 -51.19 66.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.06 -33.69 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.903 HD11 HG22 ' A' ' 72' ' ' VAL . 29.9 tp -73.58 -41.44 62.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.767 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -58.84 -44.2 90.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -76.91 -27.76 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.96 64.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.458 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 61' ' ' ARG . 33.4 m -55.54 -30.25 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.259 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.38 21.3 11.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 57.39 56.83 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.32 37.32 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 1.3 mt -60.62 -45.12 97.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.29 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 31.7 Cg_exo -58.8 -28.42 86.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.296 1.997 . . . . 0.0 112.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -23.85 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.903 HG22 HD11 ' A' ' 60' ' ' LEU . 48.5 t -57.75 -29.02 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.154 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.256 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -51.94 25.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -57.93 -41.77 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.27 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.17 87.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.97 -44.59 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.04 -39.53 92.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.46 -51.99 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -58.26 -34.5 70.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.469 HE21 ' HB2' ' A' ' 53' ' ' ALA . 3.8 tt0 -65.31 -55.63 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -62.83 -31.39 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.16 -41.6 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.92 -37.6 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.703 HG21 HD21 ' A' ' 17' ' ' LEU . 12.1 mt -69.12 -41.76 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.41 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.31 -50.55 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.31 -52.16 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.02 91.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.8 m -59.81 -32.37 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.58 -60.3 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -60.84 -28.98 69.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.2 p -68.34 161.64 26.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mt 61.7 18.51 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -178.82 33.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.689 0.281 . . . . 0.0 111.11 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 59.45 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.013 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' ARG . 75.3 m95 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 mtm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.834 0.349 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm 61.37 168.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.1 p -73.24 -15.3 61.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.98 -26.37 59.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.717 0.294 . . . . 0.0 111.351 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.92 -53.51 6.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.041 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.7 -24.88 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -70.45 -50.55 37.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.48 -29.5 66.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -77.28 -47.15 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.27 -48.4 81.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.41 -43.28 86.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.29 -43.66 98.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.55 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -69.35 -48.74 60.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 14' ' ' LEU . 2.0 tm? -57.53 -39.88 77.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.14 -52.23 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 m -65.11 -33.87 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.59 -43.33 59.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.712 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.18 -30.22 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.45 -36.51 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.2 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.3 -32.17 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.193 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.581 ' O ' HG22 ' A' ' 24' ' ' VAL . 49.5 m -101.24 13.81 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.48 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -55.49 -60.0 9.67 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.647 0.261 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 87.6 Cg_endo -81.36 63.66 8.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.724 2.282 . . . . 0.0 112.448 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.724 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 34.1 m -121.34 19.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.519 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -63.87 -26.95 68.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -79.21 -48.87 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.49 26.17 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -82.61 122.67 28.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.127 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -149.4 125.59 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 45' ' ' THR . 7.4 mt -106.63 143.52 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 t -71.26 157.63 37.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.96 -2.95 57.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.595 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -95.99 21.39 8.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -64.98 154.88 36.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' HD12 ' A' ' 38' ' ' LEU . 8.3 m-20 -103.47 130.1 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -69.07 -24.62 64.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -88.63 -27.13 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.285 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD22 ' HB1' ' A' ' 81' ' ' ALA . 13.9 mt -93.13 -27.0 17.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.232 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -112.99 164.92 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -84.91 174.06 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.44 HG23 ' HG2' ' A' ' 42' ' ' ARG . 10.3 t -78.24 -21.92 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.557 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 8.0 mmt180 -94.8 21.44 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.08 93.54 7.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.2 p -109.43 -31.17 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.481 ' N ' HD12 ' A' ' 30' ' ' LEU . 16.6 p -146.11 178.67 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 28' ' ' ALA . 65.1 mt -57.24 -41.05 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.51 ' H ' ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -64.52 -30.71 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 42' ' ' ARG . . . -77.77 -40.48 40.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -42.86 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' A' ' 18' ' ' ARG . 9.9 tp -66.31 -47.2 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.649 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.84 -39.56 94.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.22 -42.14 96.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -60.21 -43.79 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.83 99.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.3 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -32.45 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.717 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -64.59 -53.44 47.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 58' ' ' ALA . 3.4 pp -64.8 -36.46 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.72 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' N ' HD12 ' A' ' 57' ' ' LEU . . . -65.33 -47.36 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -34.82 78.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 75' ' ' LEU . 32.7 tp -64.42 -44.97 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.755 ' O ' HG22 ' A' ' 64' ' ' VAL . 8.7 mtp180 -62.7 -40.33 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.85 -26.87 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 68' ' ' GLN . . . -54.51 -29.01 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.369 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 61' ' ' ARG . 31.1 m -54.76 -26.47 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -63.0 -28.74 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.72 14.6 28.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.23 59.76 2.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.749 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.4 mp0 -95.35 37.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.916 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -49.47 -52.15 52.28 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.722 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 33.1 Cg_endo -64.46 -41.83 18.91 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.173 1.915 . . . . 0.0 112.393 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.26 -26.88 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 68' ' ' GLN . 24.4 t -57.08 -29.25 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.183 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -53.11 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -66.99 -46.87 73.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 60' ' ' LEU . 4.3 mt -59.87 -39.38 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.45 -38.15 83.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -45.12 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -38.68 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.39 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . -60.05 -42.43 94.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' A' ' 53' ' ' ALA . 9.2 tt0 -65.51 -48.93 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.546 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -59.82 -35.21 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.47 -46.75 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mt -63.76 -46.37 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.61 90.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -69.31 -46.41 67.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -45.8 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.69 94.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.9 m -72.56 -31.05 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.82 -60.12 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -59.74 -29.84 68.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -69.02 159.83 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tp 60.84 37.35 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -160.03 29.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 58.91 43.79 17.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.84 0.352 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -176.43 37.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.7 p -65.87 -28.33 68.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.42 -22.35 44.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.392 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.6 -46.21 19.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.241 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 7' ' ' LEU . 3.7 pp -58.75 -39.35 80.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.166 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 8' ' ' GLU . 3.8 pp -76.67 -35.9 57.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.983 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.596 ' N ' HD12 ' A' ' 7' ' ' LEU . 6.0 mm-40 -63.73 -44.02 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -37.11 64.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -59.33 -52.9 63.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.878 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.64 -38.87 73.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.66 -48.89 81.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.564 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.66 -40.33 92.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.643 HD23 ' HG ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -64.22 -46.48 83.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.7 90.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.0 m -71.24 -50.02 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.02 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -34.9 79.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.674 ' HA ' HD11 ' A' ' 50' ' ' LEU . 17.6 ttt180 -67.37 -43.99 80.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -37.27 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -39.0 61.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.18 13.63 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -62.92 -55.74 35.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 97.0 Cg_endo -84.32 44.89 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.811 2.34 . . . . 0.0 112.773 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.648 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 15.0 t -122.67 22.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.314 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -31.4 68.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -71.06 -30.7 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -119.49 26.17 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -83.18 124.57 30.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -149.24 131.73 15.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 30' ' ' LEU . 12.9 mt -108.66 149.29 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.95 161.81 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.21 1.86 42.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.553 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -98.82 21.34 11.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.664 0.269 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -60.03 145.88 44.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -116.34 128.68 55.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -20.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -35.57 57.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.21 -29.91 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.08 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -117.75 164.93 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.951 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 174.55 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t -65.9 -27.13 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.563 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 27.5 mtt85 -88.95 9.49 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.37 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.74 88.32 4.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.801 0.334 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.04 -31.84 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.543 ' H ' ' HB3' ' A' ' 48' ' ' ALA . 26.5 p -137.31 -179.71 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 28' ' ' ALA . 27.6 mt -58.58 -53.4 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -30.46 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' A' ' 42' ' ' ARG . . . -70.6 -53.7 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 p -65.14 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 18' ' ' ARG . 18.7 tp -64.65 -46.85 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.662 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.31 -39.84 85.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.767 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.99 -42.81 99.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.66 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.9 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.02 97.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.339 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -41.5 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.787 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -66.31 -34.24 77.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -50.62 67.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.74 87.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -64.1 -34.25 77.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.672 HD11 HG13 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -69.25 -40.09 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.793 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.717 ' O ' HG22 ' A' ' 64' ' ' VAL . 13.5 ttm180 -62.03 -48.11 81.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -76.86 -26.89 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 59' ' ' ALA . . . -54.72 -26.87 36.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.319 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 61' ' ' ARG . 28.0 m -53.39 -30.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.289 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.66 -29.03 61.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -76.35 -5.82 48.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.426 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 61.34 38.18 16.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CD ' ' HB1' ' A' ' 63' ' ' ALA . 4.1 pt20 -100.95 37.51 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 3.6 mm? -44.88 -50.49 25.42 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.463 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 52.0 Cg_exo -52.42 -34.83 63.01 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.38 2.054 . . . . 0.0 112.223 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.464 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.7 mp0 -78.24 -26.61 47.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.995 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.672 HG13 HD11 ' A' ' 60' ' ' LEU . 52.4 t -55.63 -32.11 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.93 98.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -67.78 -46.3 72.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 71' ' ' GLN . 4.5 mp -60.82 -41.46 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.767 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.67 96.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -42.26 97.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -41.4 87.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.714 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.22 -44.93 82.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.51 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.19 -36.79 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -49.63 74.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.643 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -59.89 -43.88 94.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.738 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.14 -37.62 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.91 97.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' LEU . 8.8 mt -64.98 -43.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.28 91.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.3 78.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 0.7 OUTLIER -66.89 -48.58 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 93' ' ' TRP . . . -57.72 -42.2 83.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.5 p -76.04 -29.95 58.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.28 99.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.426 ' CD1' ' HA ' ' A' ' 90' ' ' ALA . 7.9 m95 -59.65 -32.8 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t 60.63 105.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.56 57.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.771 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -159.32 52.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.784 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.08 -18.96 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.218 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.819 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm 62.52 118.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -59.91 -25.9 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.25 -31.25 63.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.2 -41.73 98.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.1 mt -78.0 -31.28 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.65 -52.33 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -30.97 69.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -49.05 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.3 -51.31 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.16 -38.36 90.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.69 -42.7 99.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.62 -49.83 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -61.03 -35.06 75.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.36 -44.58 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.551 HG22 ' HD2' ' A' ' 20' ' ' ARG . 2.8 m -72.92 -35.66 67.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -36.74 74.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -31.07 58.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -45.12 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HD2' HG22 ' A' ' 16' ' ' THR . 14.9 mtt85 -74.06 -35.28 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.3 t -92.77 13.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -61.01 -56.97 29.73 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 93.2 Cg_endo -83.18 47.73 2.49 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.739 2.292 . . . . 0.0 112.739 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.3 t -122.62 10.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.551 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -61.28 -45.55 94.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.072 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.75 -42.26 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -100.79 26.24 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.692 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -89.97 124.5 34.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -149.13 136.04 19.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.717 HD11 ' SG ' ' A' ' 49' ' ' CYS . 13.8 mt -109.06 149.28 29.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -68.88 163.74 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.48 -5.75 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.569 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.53 21.46 8.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.674 0.274 . . . . 0.0 111.167 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -62.73 154.15 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.54 128.01 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -68.1 -22.57 64.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.95 -28.33 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 82' ' ' GLN . 11.2 m-85 -114.74 162.26 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -86.37 170.67 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 m -68.27 -30.92 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -79.12 -20.97 47.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.602 ' HB1' ' SG ' ' A' ' 49' ' ' CYS . . . -60.13 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.359 . . . . 0.0 111.055 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 45' ' ' THR . 2.6 t -111.59 -25.56 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 44' ' ' THR . 10.6 p -138.55 173.3 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 28' ' ' ALA . 18.7 mt -55.37 -55.11 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.15 -35.95 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 45' ' ' THR . . . -60.96 -43.14 99.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.717 ' SG ' HD11 ' A' ' 30' ' ' LEU . 35.6 m -66.2 -38.15 87.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.761 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 21' ' ' CYS . 93.3 mt -60.64 -46.72 89.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.702 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -44.63 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 -41.5 97.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.631 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB2' HE21 ' A' ' 82' ' ' GLN . . . -63.36 -43.86 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.61 96.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.287 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -36.75 78.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -64.46 -33.64 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.728 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' LEU . 1.9 tp -75.11 -44.05 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.515 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.89 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -78.22 -31.62 49.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 75' ' ' LEU . 7.4 tt -70.56 -38.28 74.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.785 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.776 ' O ' HG22 ' A' ' 64' ' ' VAL . 19.3 ttt85 -75.72 -40.76 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -76.93 -26.87 54.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB1' ' CB ' ' A' ' 68' ' ' GLN . . . -54.3 -29.67 48.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 61' ' ' ARG . 35.7 m -56.93 -29.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.228 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -68.92 -30.45 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.81 21.32 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.211 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.568 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . 4.3 mt-30 -97.54 37.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mt -55.76 -44.49 99.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.375 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 33.8 Cg_exo -59.76 -31.4 94.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.038 . . . . 0.0 112.149 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -27.05 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.7 t -57.55 -31.61 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.78 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -45.68 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.801 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CB ' HD12 ' A' ' 60' ' ' LEU . 11.8 mt -62.8 -38.79 92.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.9 -51.02 71.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.72 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.19 -46.68 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mt -60.77 -49.63 76.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.806 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.11 86.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.09 98.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.459 HE21 ' HB2' ' A' ' 53' ' ' ALA . 3.5 tt0 -66.06 -50.48 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -39.67 72.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.64 -30.9 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.29 73.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.37 -46.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.999 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.13 83.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -68.68 -53.91 19.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -51.38 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.0 75.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -69.72 -32.34 70.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.721 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.72 -60.67 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -61.06 -25.41 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.9 93.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.081 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.37 29.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -177.82 38.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.68 86.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 stop_ save_