data_2n7a_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 2n7a _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.435 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.868 0 CA-C-O 119.416 -0.658 . . . . 0.0 113.358 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.88 149.5 31.34 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.36 -15.68 8.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.593 0.616 . . . . 0.0 112.853 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -82.68 114.79 21.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.254 1.027 . . . . 0.0 113.625 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 mt -136.15 151.12 49.43 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.71 0.404 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -148.29 148.23 30.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -130.36 126.37 36.95 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -156.87 156.98 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.636 . . . . 0.0 110.481 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.2 116.8 7.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -69.89 -16.43 63.23 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -173.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -152.9 123.65 7.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.32 0.509 . . . . 0.0 110.038 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.39 148.59 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.483 1.113 . . . . 0.0 108.238 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.43 140.48 41.31 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.16 155.17 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.056 0 C-N-CA 122.775 0.43 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -87.45 157.22 19.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.122 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.68 140.29 51.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.389 0.276 . . . . 0.0 111.103 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.39 3.84 64.66 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 119.013 -0.882 . . . . 0.0 114.469 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.52 174.6 10.8 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.202 1.501 . . . . 0.0 111.489 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -91.89 168.28 11.54 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -156.7 156.1 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 124.624 1.17 . . . . 0.0 108.961 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -120.53 141.98 49.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.326 0.65 . . . . 0.0 110.275 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -134.58 88.86 27.83 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 123.69 0.796 . . . . 0.0 111.044 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.23 143.23 43.37 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.857 2.372 . . . . 0.0 111.383 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 p -161.44 166.71 26.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.759 0.314 . . . . 0.0 111.658 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -153.84 166.43 32.94 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.284 0.634 . . . . 0.0 111.061 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -141.48 169.35 17.77 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.3 m -142.54 148.54 37.75 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.038 0.935 . . . . 0.0 109.872 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -152.19 155.98 33.56 Favored Pre-proline 0 N--CA 1.457 -0.112 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.78 157.45 61.17 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.025 2.484 . . . . 0.0 110.193 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.66 -1.32 41.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.198 0.599 . . . . 0.0 111.95 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.4 139.69 55.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 4.44 89.86 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.017 -0.879 . . . . 0.0 114.455 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.85 167.26 27.08 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.293 1.546 . . . . 0.0 112.228 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.56 166.51 21.24 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -62.65 -9.15 8.06 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.1 p -110.21 -3.07 16.5 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.763 0.425 . . . . 0.0 111.949 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.96 147.09 88.25 Favored Pre-proline 0 N--CA 1.453 -0.283 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.39 160.89 47.35 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.702 2.935 . . . . 0.0 110.203 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.24 146.09 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.72 0.408 . . . . 0.0 110.408 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -148.8 166.74 27.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.879 1.271 . . . . 0.0 110.088 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.97 159.49 27.41 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -151.77 169.36 22.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -134.63 146.35 49.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.741 1.216 . . . . 0.0 111.041 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -143.27 154.65 44.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.68 0.392 . . . . 0.0 110.537 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -73.87 153.42 39.88 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 O-C-N 121.297 -0.877 . . . . 0.0 109.492 176.337 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -71.72 158.34 53.52 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.724 2.949 . . . . 0.0 110.367 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.9 -16.83 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.38 150.91 14.78 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.991 0.916 . . . . 0.0 109.355 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.0 t -161.44 165.27 29.02 Favored 'General case' 0 C--O 1.228 -0.064 0 C-N-CA 122.679 0.392 . . . . 0.0 111.98 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -116.86 -2.33 11.84 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.39 0.676 . . . . 0.0 110.725 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.265 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.32 167.45 24.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.411 0.684 . . . . 0.0 111.985 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -58.94 146.44 37.83 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.071 0.548 . . . . 0.0 111.138 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.32 -20.89 64.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.226 -0.297 . . . . 0.0 111.614 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -86.28 -10.47 54.48 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.957 0.344 . . . . 0.0 111.038 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.448 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.4 p -117.19 -5.35 11.36 Favored 'General case' 0 C--N 1.342 0.255 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.35 129.97 44.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.555 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.91 3.66 69.01 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.018 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -125.13 -33.67 2.85 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.454 1.127 . . . . 0.0 112.44 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -91.63 141.22 28.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 174.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -157.25 149.6 22.92 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.11 0.164 . . . . 0.0 110.635 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.5 mt -101.78 144.63 30.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.6 mt -118.76 177.49 4.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.635 0.774 . . . . 0.0 110.206 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.08 -155.04 41.86 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -133.6 128.03 34.3 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -30.17 49.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.987 0.515 . . . . 0.0 111.402 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.12 -3.44 45.48 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.609 0.364 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -110.94 13.02 22.16 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.21 1.004 . . . . 0.0 109.709 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 60.73 23.72 13.6 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.837 1.255 . . . . 0.0 113.389 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -76.22 145.11 40.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.841 0.292 . . . . 0.0 111.635 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.8 p -126.88 10.79 7.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 123.217 0.607 . . . . 0.0 111.473 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -46.99 132.95 11.63 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.763 0.825 . . . . 0.0 111.823 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.3 tp -118.49 148.16 42.89 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.915 0.886 . . . . 0.0 108.848 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 136.76 36.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.749 0.309 . . . . 0.0 110.463 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.78 132.15 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -114.04 141.72 47.08 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.1 t0 49.03 58.95 4.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.43 148.5 27.9 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 111.731 -174.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -136.95 165.47 25.91 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.424 0.69 . . . . 0.0 109.649 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -61.45 -18.27 58.19 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -77.24 -14.61 59.73 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -78.98 -15.36 58.38 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.7 tttt -65.92 131.08 45.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.18 -150.58 22.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 m -139.81 153.06 47.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.075 0.55 . . . . 0.0 110.611 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -147.09 165.41 30.02 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.11 156.8 45.92 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -92.14 154.59 18.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -133.46 133.91 42.88 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.616 0.367 . . . . 0.0 110.895 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.8 tp -106.43 146.38 30.59 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.408 1.083 . . . . 0.0 110.19 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -150.46 120.8 7.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -152.5 130.64 11.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.926 0.891 . . . . 0.0 109.292 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.43 47.48 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -82.19 -7.77 59.63 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.914 0.357 . . . . 0.0 111.536 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -91.58 142.84 27.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.295 0.638 . . . . 0.0 111.985 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -153.74 147.52 25.33 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.531 0.733 . . . . 0.0 109.572 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.435 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 66.0 t-105 -150.75 143.73 24.68 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.499 0.19 . . . . 0.0 111.49 -174.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -107.1 129.91 54.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.063 0.545 . . . . 0.0 110.217 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.278 78.9 m-85 -82.78 61.68 5.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -141.63 165.14 28.32 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.982 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 123.069 0.548 . . . . 0.0 112.006 -178.128 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.274 16.4 t80 . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.12 143.74 29.54 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-O 120.659 0.266 . . . . 0.0 111.219 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.6 t -158.76 162.23 37.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.664 0.786 . . . . 0.0 110.491 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.487 ' HB3' ' HZ1' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -77.07 171.22 15.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.043 0.537 . . . . 0.0 110.824 -179.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -139.77 165.8 26.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.904 0.882 . . . . 0.0 110.48 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.6 tp -100.49 128.66 46.49 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 t -107.6 143.13 36.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.55 141.25 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.935 0.494 . . . . 0.0 109.729 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.558 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.4 m-85 -129.28 147.35 51.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.04 143.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.938 0.495 . . . . 0.0 111.317 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.04 142.31 46.34 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.71 58.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 111.015 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.402 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.527 0.837 0 CA-C-O 119.705 -0.497 . . . . 0.0 112.868 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -56.52 141.39 42.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.371 1.085 . . . . 0.0 113.664 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.78 -15.7 40.88 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.085 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -84.27 117.06 23.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.167 0.984 . . . . 0.0 112.93 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -137.64 151.6 48.46 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.005 0.366 . . . . 0.0 110.903 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.37 147.65 29.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -129.57 126.88 39.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.952 0.501 . . . . 0.0 109.714 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -156.8 156.79 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -176.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -66.05 117.34 8.25 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -67.41 -18.7 65.21 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.47 124.55 7.41 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.271 0.487 . . . . 0.0 110.248 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -120.79 149.81 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 124.531 1.133 . . . . 0.0 108.254 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.74 140.83 40.9 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -153.08 156.05 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.991 0.516 . . . . 0.0 111.299 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -89.5 156.76 18.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.953 -0.467 . . . . 0.0 110.246 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -69.12 142.09 54.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.376 -0.202 . . . . 0.0 110.727 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.92 3.77 65.61 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.842 -0.976 . . . . 0.0 114.937 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.35 173.94 12.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.292 1.546 . . . . 0.0 111.716 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -91.94 168.14 11.62 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.56 155.88 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.756 1.222 . . . . 0.0 108.894 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -119.46 141.71 48.9 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 110.317 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.51 87.65 26.33 Favored Pre-proline 0 CA--C 1.53 0.19 0 C-N-CA 124.079 0.951 . . . . 0.0 111.007 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.46 143.19 46.76 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.113 2.542 . . . . 0.0 111.255 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -161.79 167.0 25.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 111.522 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -153.84 169.21 23.94 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 122.923 0.489 . . . . 0.0 111.245 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -139.4 172.52 12.69 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -147.77 148.64 31.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.832 0.853 . . . . 0.0 110.256 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.409 ' CD2' ' HE3' ' A' ' 115' ' ' MET . 9.0 p90 -154.36 156.24 31.54 Favored Pre-proline 0 CA--C 1.529 0.137 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 -174.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -67.28 158.2 58.11 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.318 2.679 . . . . 0.0 110.195 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -80.13 -1.92 42.31 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.83 132.23 46.44 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.27 75.6 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.231 -0.761 . . . . 0.0 114.343 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.3 p-90 -150.5 167.03 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.783 1.292 . . . . 0.0 112.512 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 167.37 18.97 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.57 -11.42 16.5 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -103.76 -6.08 21.84 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.091 0.557 . . . . 0.0 112.327 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -75.41 145.78 80.05 Favored Pre-proline 0 N--CA 1.453 -0.3 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -71.35 159.88 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.84 3.026 . . . . 0.0 110.047 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.36 144.48 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 122.686 0.394 . . . . 0.0 110.249 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -148.98 165.39 31.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.733 1.213 . . . . 0.0 109.906 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.85 160.48 26.64 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -150.04 167.86 25.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -135.01 146.51 49.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.755 1.222 . . . . 0.0 111.415 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -144.5 152.22 40.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.694 0.398 . . . . 0.0 111.033 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -73.49 146.11 45.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.45 155.89 59.14 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.933 2.422 . . . . 0.0 110.252 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 m -82.46 -17.49 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 O-C-N 122.274 -0.266 . . . . 0.0 111.02 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.51 152.91 12.57 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.331 1.052 . . . . 0.0 109.137 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 t -160.74 155.82 24.4 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.352 0.524 . . . . 0.0 111.822 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -89.14 -16.43 31.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.021 0.529 . . . . 0.0 110.618 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -177.5 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.33 172.24 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.048 0.539 . . . . 0.0 111.943 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -58.68 144.98 41.64 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.574 0.35 . . . . 0.0 111.048 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.96 -23.62 65.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.414 0.286 . . . . 0.0 111.728 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.87 -14.61 53.93 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.12 0.418 . . . . 0.0 111.18 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -110.41 -0.3 17.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -60.78 125.06 22.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 1.73 60.38 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.281 -0.733 . . . . 0.0 113.671 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -118.18 -28.58 5.79 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.55 1.175 . . . . 0.0 112.218 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -96.18 141.26 29.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.36 148.5 23.24 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.41 143.55 32.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.6 mt -116.47 177.42 4.7 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.743 0.817 . . . . 0.0 110.008 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.69 -149.23 36.29 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -142.62 128.88 19.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -23.65 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 O-C-N 122.166 -0.334 . . . . 0.0 111.713 -176.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -79.09 -8.89 59.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.659 0.384 . . . . 0.0 110.687 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -105.01 12.39 32.33 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.101 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 60.1 23.9 13.15 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.449 1.099 . . . . 0.0 113.424 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -83.75 146.56 28.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.1 p -128.43 10.48 6.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.473 0.709 . . . . 0.0 111.79 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.6 m -45.28 130.7 8.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.08 0.952 . . . . 0.0 111.918 -171.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.9 tp -114.56 148.4 38.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.978 0.911 . . . . 0.0 109.128 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -139.02 136.07 34.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.74 133.58 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -115.89 140.6 49.07 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.9 t0 48.74 60.05 3.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.86 148.67 33.93 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.56 0.344 . . . . 0.0 111.679 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -139.7 164.0 31.09 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.79 0.836 . . . . 0.0 109.227 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -60.25 -15.26 23.15 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.47 -14.3 59.43 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 122.653 0.381 . . . . 0.0 111.897 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -80.55 -15.63 56.19 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.617 ' HE2' ' CD2' ' A' ' 133' ' ' PHE . 64.2 tttm -65.23 130.46 43.43 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.39 -151.48 23.05 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -139.25 152.26 47.15 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.701 0.8 . . . . 0.0 110.408 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -146.62 164.39 32.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -141.18 158.63 43.65 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -96.05 154.69 17.11 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -132.07 133.49 44.41 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 122.681 0.392 . . . . 0.0 110.928 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 tp -104.55 144.99 30.93 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.938 0.895 . . . . 0.0 110.568 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.52 120.37 7.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 122.914 0.486 . . . . 0.0 109.837 173.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -153.97 131.05 11.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.06 -138.86 47.03 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -82.71 -4.88 58.49 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.469 0.308 . . . . 0.0 111.38 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.409 ' HE3' ' CD2' ' A' ' 35' ' ' TYR . 46.6 ttp -88.89 138.85 31.03 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.537 0.735 . . . . 0.0 111.969 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.31 144.8 31.64 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 173.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.402 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.3 t-105 -156.42 146.36 21.14 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 117.691 0.223 . . . . 0.0 110.692 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -115.28 129.05 56.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.701 0.4 . . . . 0.0 109.97 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.287 81.1 m-85 -80.08 59.57 3.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -136.53 157.93 45.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.682 0.793 . . . . 0.0 109.583 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 120.773 0.321 . . . . 0.0 111.239 -179.583 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.2 142.73 28.7 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 122.42 0.288 . . . . 0.0 110.566 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -157.68 161.7 38.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.243 0.617 . . . . 0.0 110.555 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -75.72 170.66 15.76 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.17 0.509 . . . . 0.0 110.552 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -139.18 165.74 26.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.129 0.972 . . . . 0.0 110.539 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.2 tp -100.69 120.58 40.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.7 t -98.93 142.83 29.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.6 t -128.02 140.4 49.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 122.919 0.488 . . . . 0.0 109.737 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.617 ' CD2' ' HE2' ' A' ' 103' ' ' LYS . 30.2 m-85 -128.38 149.76 50.39 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 115.686 1.735 . . . . 0.0 115.686 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.2 143.12 37.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 122.896 0.479 . . . . 0.0 111.66 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.7 m -133.06 141.69 48.36 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.24 141.52 58.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.017 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 CA-C-O 119.359 -0.69 . . . . 0.0 113.455 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -67.15 152.32 45.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.901 1.35 . . . . 0.0 107.984 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.23 -15.74 37.67 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 123.832 0.73 . . . . 0.0 112.797 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -84.72 118.56 24.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.143 0.972 . . . . 0.0 112.66 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 mt -136.02 150.41 49.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 122.382 0.273 . . . . 0.0 110.534 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -148.42 147.71 29.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.443 0.297 . . . . 0.0 110.285 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -131.4 128.74 40.2 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.452 0.701 . . . . 0.0 109.316 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -160.0 156.72 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.591 0.756 . . . . 0.0 110.701 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.94 119.05 9.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.06 -18.31 62.57 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -152.02 123.78 7.95 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.177 0.444 . . . . 0.0 109.992 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -119.43 148.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.313 1.045 . . . . 0.0 108.218 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.24 141.13 42.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.98 153.39 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.593 0.357 . . . . 0.0 111.96 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -84.44 156.94 21.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -72.85 142.51 47.97 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.451 0.3 . . . . 0.0 110.905 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.0 6.36 65.23 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.09 -0.839 . . . . 0.0 114.737 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.74 171.1 14.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.006 1.403 . . . . 0.0 111.55 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -92.57 166.09 12.68 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.824 0.85 . . . . 0.0 113.197 -170.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.7 155.26 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.376 1.07 . . . . 0.0 109.747 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -117.08 140.22 49.76 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.978 0.911 . . . . 0.0 110.102 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.94 90.62 31.22 Favored Pre-proline 0 N--CA 1.456 -0.161 0 C-N-CA 124.525 1.13 . . . . 0.0 111.166 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.75 147.16 85.39 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.306 2.671 . . . . 0.0 111.492 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.6 t -156.97 148.35 22.21 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.564 0.746 . . . . 0.0 110.468 -176.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.3 p -151.44 162.0 41.72 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.225 0.61 . . . . 0.0 110.115 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -148.68 174.43 12.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -146.63 150.78 36.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.731 0.813 . . . . 0.0 109.94 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.39 154.52 32.09 Favored Pre-proline 0 CA--C 1.53 0.19 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.78 155.62 69.72 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.059 2.506 . . . . 0.0 110.166 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -78.09 1.82 19.89 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.159 0.583 . . . . 0.0 112.415 -176.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.77 128.29 35.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.96 7.47 80.73 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.904 -0.942 . . . . 0.0 114.341 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.476 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.8 p-90 -151.29 168.49 24.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.182 1.491 . . . . 0.0 112.96 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 167.62 18.21 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -63.23 -4.46 2.51 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -120.87 -1.63 9.89 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 122.962 0.505 . . . . 0.0 112.074 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -72.09 143.79 86.66 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.79 156.01 34.97 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.471 2.781 . . . . 0.0 111.63 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.99 145.04 20.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 122.714 0.406 . . . . 0.0 110.368 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -149.39 165.22 32.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.803 0.841 . . . . 0.0 110.763 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.04 157.73 26.53 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -151.26 171.27 17.7 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -138.59 146.44 41.8 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.568 1.147 . . . . 0.0 111.407 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -143.23 152.31 41.57 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.782 0.433 . . . . 0.0 111.036 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -70.54 145.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.25 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.069 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.36 154.59 65.22 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.115 2.544 . . . . 0.0 110.403 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.47 -16.51 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 O-C-N 122.23 -0.294 . . . . 0.0 111.662 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.13 148.62 11.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.978 0.911 . . . . 0.0 109.812 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -162.11 158.39 24.7 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 122.395 0.278 . . . . 0.0 111.097 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -106.53 -1.15 23.32 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.775 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.627 0.251 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.29 167.83 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 123.642 0.777 . . . . 0.0 111.642 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.19 146.76 37.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.798 0.439 . . . . 0.0 111.155 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -20.89 64.07 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -86.39 -7.22 58.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.836 0.289 . . . . 0.0 111.669 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.449 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -120.78 -5.96 9.64 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.04 132.25 53.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.709 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.37 1.68 71.02 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.191 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -126.37 -35.08 2.42 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.699 1.25 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -84.65 140.37 31.38 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -156.84 146.57 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.263 0.225 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.0 mt -97.36 145.28 26.29 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.82 173.78 6.45 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.28 0.632 . . . . 0.0 110.199 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.83 -154.57 37.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -132.64 131.25 41.17 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 pt -65.92 -28.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 123.149 0.579 . . . . 0.0 111.39 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -80.18 -9.13 59.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.109 0.163 . . . . 0.0 111.238 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t -102.31 10.76 38.94 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.27 1.028 . . . . 0.0 110.263 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 59.31 30.74 20.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.183 0.993 . . . . 0.0 112.473 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -82.04 145.07 30.41 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.432 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.0 p -131.43 15.64 4.98 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.351 0.66 . . . . 0.0 110.844 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.7 m -54.12 141.29 29.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.343 0.657 . . . . 0.0 111.165 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.4 tp -126.34 148.57 49.54 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.012 0.925 . . . . 0.0 108.936 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -138.99 138.95 37.72 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.42 124.75 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -101.33 139.12 37.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 45.5 59.74 3.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.05 14.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -134.63 166.05 23.81 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.936 0.894 . . . . 0.0 109.616 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -60.82 -17.97 52.88 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -74.67 -15.26 60.81 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.223 0.609 . . . . 0.0 111.963 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -82.81 -12.93 57.09 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.553 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.47 131.47 45.74 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.4 -155.29 26.05 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -136.6 151.91 49.87 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.949 0.499 . . . . 0.0 110.318 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -148.21 165.31 31.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -140.39 156.56 46.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.292 0.637 . . . . 0.0 111.05 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -88.29 154.62 20.27 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -138.89 148.06 43.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.084 -0.385 . . . . 0.0 110.728 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.74 143.37 50.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.805 0.842 . . . . 0.0 111.916 -170.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -140.8 129.99 23.55 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.693 0.797 . . . . 0.0 109.511 169.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -154.34 129.6 9.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.44 47.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 t -79.11 -12.42 60.0 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.722 -0.281 . . . . 0.0 110.915 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -86.66 143.08 27.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.336 0.654 . . . . 0.0 112.457 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 144.63 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.298 1.039 . . . . 0.0 108.618 173.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -153.77 159.66 42.0 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.098 0.159 . . . . 0.0 110.573 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.6 t -133.53 134.81 43.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.248 0.619 . . . . 0.0 110.031 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.29 79.8 m-85 -85.31 61.59 6.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -136.62 163.7 29.94 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.497 0.719 . . . . 0.0 110.123 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 122.574 0.35 . . . . 0.0 110.979 179.002 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 19.0 t80 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -146.22 144.38 29.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.766 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.8 t -158.62 160.68 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.959 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.502 ' HB3' ' HZ1' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -76.15 171.1 15.08 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.949 0.499 . . . . 0.0 111.054 -179.223 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -138.71 163.7 31.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.67 0.788 . . . . 0.0 110.31 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.52 133.73 44.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.68 143.21 44.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.0 t -127.52 140.31 49.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 C-N-CA 122.91 0.484 . . . . 0.0 109.789 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.7 m-85 -129.25 146.08 51.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.68 143.19 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 122.775 0.43 . . . . 0.0 111.483 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -133.01 141.08 48.09 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.48 140.82 58.91 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.479 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -179.012 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.529 0.942 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.548 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.07 149.27 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.21 -15.5 6.78 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.63 0.633 . . . . 0.0 112.971 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -83.72 121.72 27.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.054 0.927 . . . . 0.0 112.458 176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -140.0 158.47 44.01 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.767 0.427 . . . . 0.0 110.324 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.6 145.71 32.72 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.063 0.545 . . . . 0.0 109.693 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -131.42 115.92 16.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -155.82 154.3 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.171 0.588 . . . . 0.0 110.955 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.1 118.78 11.71 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.73 -19.57 65.16 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -153.79 124.97 7.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.236 0.471 . . . . 0.0 110.042 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.6 t -120.74 149.92 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.309 1.043 . . . . 0.0 108.309 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.55 139.92 40.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 177.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.1 153.54 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.796 0.438 . . . . 0.0 111.881 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -84.75 158.21 20.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.018 0.437 . . . . 0.0 109.92 174.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -73.86 140.13 45.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.508 0.323 . . . . 0.0 110.929 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.85 6.24 63.76 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 119.011 -0.883 . . . . 0.0 114.688 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.67 175.19 10.56 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.988 1.394 . . . . 0.0 111.853 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.6 m -92.72 165.43 12.95 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.84 155.71 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.389 1.076 . . . . 0.0 109.108 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -118.55 140.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.58 0.752 . . . . 0.0 110.047 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.1 89.55 28.39 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 123.818 0.847 . . . . 0.0 110.461 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.29 142.96 46.9 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.174 2.583 . . . . 0.0 111.244 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -161.45 166.78 26.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.038 0.446 . . . . 0.0 111.327 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -152.2 171.06 18.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.138 0.575 . . . . 0.0 110.977 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -140.49 170.35 15.96 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -147.34 150.16 34.21 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.098 0.559 . . . . 0.0 109.855 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -154.09 156.03 31.57 Favored Pre-proline 0 CA--C 1.529 0.16 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -174.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.54 158.63 56.89 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.122 2.548 . . . . 0.0 110.016 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -79.1 -1.11 34.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.249 0.62 . . . . 0.0 111.952 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.87 129.21 38.91 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.75 4.56 69.69 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 119.071 -0.85 . . . . 0.0 114.214 174.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.468 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.68 166.57 30.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.99 1.395 . . . . 0.0 112.419 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.13 167.66 18.76 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -62.97 -12.18 23.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -99.87 -6.28 27.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.99 0.516 . . . . 0.0 112.219 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.35 146.26 73.82 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.44 161.74 43.4 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.801 3.001 . . . . 0.0 110.024 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -144.99 144.97 21.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.929 0.395 . . . . 0.0 110.442 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -148.93 165.27 32.08 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.773 1.229 . . . . 0.0 110.038 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.66 158.85 27.17 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -150.02 172.01 15.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -136.37 146.42 46.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.303 1.041 . . . . 0.0 111.533 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.72 148.74 37.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -75.93 137.57 40.44 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.28 -177.233 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -71.91 153.58 58.33 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 122.941 2.427 . . . . 0.0 109.932 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.94 -16.33 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.28 15.51 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.021 0.929 . . . . 0.0 109.485 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -161.79 164.66 28.74 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.587 0.355 . . . . 0.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -115.24 -2.04 12.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.536 0.735 . . . . 0.0 111.084 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.008 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.53 172.84 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.392 0.677 . . . . 0.0 112.254 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.65 145.15 40.84 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.808 0.443 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -20.57 64.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -85.49 -11.82 53.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.851 0.296 . . . . 0.0 110.832 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.436 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -115.14 -0.15 13.39 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.86 128.01 34.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.79 2.06 56.03 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 119.535 -0.592 . . . . 0.0 113.288 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.2 mtm105 -119.26 -29.2 5.25 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.306 1.053 . . . . 0.0 112.157 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.436 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -97.8 140.3 32.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.57 151.2 25.73 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.143 0.177 . . . . 0.0 110.536 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.61 144.77 30.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.36 178.13 4.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.845 0.858 . . . . 0.0 110.098 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.65 -150.71 36.74 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -138.78 129.66 26.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -30.52 50.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 122.72 0.408 . . . . 0.0 111.421 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -79.56 -5.27 54.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.648 0.379 . . . . 0.0 111.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.3 t -106.11 12.75 29.92 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.217 1.007 . . . . 0.0 109.623 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 58.67 24.38 12.08 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.682 1.193 . . . . 0.0 112.971 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -83.22 144.54 29.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.1 p -127.69 11.05 6.68 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.172 0.589 . . . . 0.0 111.351 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -44.08 129.5 6.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.686 0.795 . . . . 0.0 111.763 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.4 tp -111.05 148.23 33.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.664 0.786 . . . . 0.0 109.112 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.8 t -137.85 136.22 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.39 133.8 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -115.99 140.79 48.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.5 t0 48.64 59.64 4.23 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 123.176 0.297 . . . . 0.0 110.277 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 147.9 30.48 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -136.53 163.75 29.78 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.592 0.757 . . . . 0.0 109.219 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -60.8 -18.04 52.99 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.4 tpp85 -73.43 -20.76 60.64 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.374 0.67 . . . . 0.0 111.605 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -75.84 -15.53 60.21 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.0 tttt -64.87 131.1 45.8 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.87 -149.77 21.28 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -141.62 153.47 44.78 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.075 0.55 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -147.31 166.88 25.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.4 155.92 45.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.209 0.604 . . . . 0.0 110.533 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -90.0 154.33 19.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -134.3 137.08 43.97 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 117.894 0.315 . . . . 0.0 110.946 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -110.01 145.48 36.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.772 0.829 . . . . 0.0 110.382 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.13 120.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.202 0.601 . . . . 0.0 109.617 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -153.99 130.09 10.34 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.5 0.72 . . . . 0.0 109.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.01 -138.79 47.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.2 t -80.84 -10.11 59.75 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.733 -0.275 . . . . 0.0 110.858 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 ttp -84.83 140.96 30.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.543 0.737 . . . . 0.0 111.997 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 146.12 32.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.527 1.131 . . . . 0.0 108.003 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.417 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 71.4 t-105 -154.35 149.35 26.78 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.782 0.264 . . . . 0.0 110.98 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -118.29 131.57 56.34 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.819 0.448 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.307 80.9 m-85 -85.69 60.8 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -141.19 164.21 30.88 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 123.518 0.727 . . . . 0.0 109.649 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.4 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.512 0.196 . . . . 0.0 110.976 -177.599 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -145.5 136.69 24.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.353 0.261 . . . . 0.0 110.698 -173.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.3 t -158.33 158.66 34.76 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -77.85 169.1 18.85 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.567 0.747 . . . . 0.0 111.108 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -136.92 169.63 17.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.986 0.915 . . . . 0.0 110.488 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.3 tp -100.54 129.01 46.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.5 t -108.33 143.16 37.59 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.6 t -127.48 140.03 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.3 m-85 -128.02 148.02 50.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.19 143.51 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 122.847 0.459 . . . . 0.0 112.009 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.33 141.87 45.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.82 141.74 58.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.149 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.887 0 CA-C-O 119.415 -0.658 . . . . 0.0 113.595 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.16 148.34 41.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.953 1.376 . . . . 0.0 111.117 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.18 -15.35 39.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.39 -0.672 . . . . 0.0 112.908 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -85.24 119.86 26.08 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.614 1.207 . . . . 0.0 112.532 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.3 mt -138.88 152.07 47.48 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 117.847 0.294 . . . . 0.0 111.038 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -148.55 147.23 28.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.5 125.23 35.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.744 0.418 . . . . 0.0 110.267 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -159.68 162.3 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.427 1.091 . . . . 0.0 110.169 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -62.46 125.88 25.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.01 -14.64 62.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.322 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 tp -152.03 135.66 16.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.159 0.584 . . . . 0.0 110.339 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.6 t -130.91 146.77 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.73 141.77 43.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 177.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -155.02 153.94 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 123.299 0.64 . . . . 0.0 111.089 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -85.83 157.94 20.09 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.017 0.437 . . . . 0.0 110.034 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -72.22 143.06 48.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.025 -0.422 . . . . 0.0 110.92 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.5 5.39 67.08 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-O 119.07 -0.85 . . . . 0.0 114.313 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.84 171.99 13.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.942 1.371 . . . . 0.0 111.189 176.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -94.09 166.29 12.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -170.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.52 157.85 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.919 0.888 . . . . 0.0 109.183 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -121.24 141.07 51.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.623 0.769 . . . . 0.0 110.112 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -133.17 89.27 33.72 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 123.927 0.891 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.13 143.47 44.37 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.081 2.521 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -161.66 166.61 26.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.8 t -153.74 165.25 36.6 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.935 0.494 . . . . 0.0 110.85 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.44 170.14 16.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 t -144.81 149.3 35.21 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.254 0.621 . . . . 0.0 110.446 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -155.15 155.9 30.56 Favored Pre-proline 0 CA--C 1.529 0.172 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -67.2 159.3 52.81 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.365 2.71 . . . . 0.0 110.284 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.3 tt0 -80.92 -0.89 41.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.33 132.74 46.89 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.79 2.37 78.7 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.123 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -148.03 165.38 30.95 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.735 1.268 . . . . 0.0 112.326 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.21 167.63 17.36 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.47 -10.35 17.11 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.9 p -110.02 -2.33 17.12 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.51 146.73 86.53 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.84 160.88 47.96 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.797 2.998 . . . . 0.0 110.286 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 144.51 20.96 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 122.746 0.418 . . . . 0.0 110.541 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.17 166.92 27.38 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.484 1.114 . . . . 0.0 110.002 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.58 157.95 27.16 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -151.73 171.71 17.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -136.79 149.46 47.79 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.352 1.061 . . . . 0.0 111.525 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -144.66 154.03 42.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.79 0.436 . . . . 0.0 110.578 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -75.27 148.75 39.15 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 O-C-N 121.769 -0.582 . . . . 0.0 109.539 177.138 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.383 0.135 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.71 160.11 49.0 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.828 3.019 . . . . 0.0 110.16 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -81.98 -17.39 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 154.25 17.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.729 0.811 . . . . 0.0 109.208 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -162.83 165.37 25.39 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.69 0.281 . . . . 0.0 111.343 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -117.38 -1.39 11.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.343 0.657 . . . . 0.0 110.898 175.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.062 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.87 173.65 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -58.72 146.73 35.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.454 0.702 . . . . 0.0 111.481 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.2 65.3 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -86.05 -9.38 56.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.986 0.357 . . . . 0.0 111.376 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -116.27 -1.43 12.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -60.93 130.87 48.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.757 0.423 . . . . 0.0 109.923 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.67 1.96 54.93 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.049 -0.862 . . . . 0.0 113.341 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -120.55 -37.02 3.08 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.995 1.397 . . . . 0.0 111.854 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -84.2 138.94 32.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -157.1 149.93 23.55 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -101.98 144.79 30.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.2 mt -118.63 179.06 4.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.99 0.916 . . . . 0.0 110.366 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.12 -149.64 34.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -138.96 128.39 24.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -30.06 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.888 0.475 . . . . 0.0 111.338 -177.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.07 -2.35 40.06 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 122.694 0.398 . . . . 0.0 110.736 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -111.91 12.9 20.84 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.542 1.137 . . . . 0.0 109.619 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 60.11 24.47 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.608 1.163 . . . . 0.0 113.558 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.52 142.45 34.16 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -123.06 10.28 9.4 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.34 0.656 . . . . 0.0 111.231 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.5 m -44.6 129.61 6.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.958 0.903 . . . . 0.0 111.821 -172.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.1 tp -114.38 147.59 38.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.181 0.992 . . . . 0.0 108.854 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -137.4 136.57 37.97 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 110.086 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -107.28 124.7 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -102.29 140.56 36.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 45.56 58.67 4.08 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 148.29 17.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -133.99 166.07 23.56 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.128 0.971 . . . . 0.0 109.642 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -61.36 -18.92 60.98 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -74.08 -15.37 61.06 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -80.63 -13.73 58.79 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.66 0.384 . . . . 0.0 111.52 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.581 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -68.62 134.74 50.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.35 -150.15 22.29 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -140.62 152.37 45.37 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 123.119 0.568 . . . . 0.0 110.332 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -146.59 165.25 30.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.89 157.9 44.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -93.8 154.42 17.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -129.65 132.56 46.73 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 122.704 0.402 . . . . 0.0 110.338 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -103.02 144.34 31.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -148.33 118.88 7.43 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -153.79 130.82 11.02 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 123.537 0.735 . . . . 0.0 109.209 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.79 -138.14 48.8 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.6 p -85.21 -6.37 59.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.089 0.445 . . . . 0.0 110.925 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.3 ttp -86.09 135.99 33.4 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 111.58 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -142.4 143.59 32.74 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.816 1.247 . . . . 0.0 108.862 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -154.9 151.28 28.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 122.371 -0.206 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -120.78 129.2 53.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.073 0.549 . . . . 0.0 110.324 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.28 77.3 m-85 -81.57 62.45 5.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.17 162.03 36.66 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.242 0.617 . . . . 0.0 109.795 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 N--CA 1.455 -0.192 0 C-N-CA 122.681 0.392 . . . . 0.0 111.895 -177.799 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.9 t80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -146.38 139.73 25.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.75 0.25 . . . . 0.0 110.884 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.5 t -159.57 162.87 35.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.742 0.817 . . . . 0.0 110.672 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -77.37 171.51 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.032 0.533 . . . . 0.0 110.98 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.03 163.34 32.67 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.088 0.955 . . . . 0.0 110.239 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 tp -100.56 119.53 38.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 t -97.71 142.84 29.01 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.83 140.58 48.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.581 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -128.02 146.1 50.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.5 t -135.9 143.15 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.93 0.492 . . . . 0.0 110.882 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -134.42 141.06 46.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.16 140.73 58.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.915 0.388 . . . . 0.0 110.631 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.383 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.43 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.885 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.28 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.82 142.14 51.2 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.33 -15.43 9.12 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.878 0.751 . . . . 0.0 112.925 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -81.75 114.42 20.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.32 1.06 . . . . 0.0 112.755 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -137.74 153.71 49.7 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 122.643 0.377 . . . . 0.0 110.433 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 147.53 29.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -130.49 127.34 39.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.111 0.564 . . . . 0.0 109.696 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -157.56 157.72 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.751 0.82 . . . . 0.0 110.258 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.5 118.11 8.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -68.17 -18.87 64.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -153.72 125.19 7.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.281 0.492 . . . . 0.0 110.307 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.8 147.85 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.492 1.117 . . . . 0.0 108.246 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.54 140.4 41.04 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.86 154.3 7.91 Favored 'Isoleucine or valine' 0 C--N 1.337 0.032 0 C-N-CA 122.679 0.391 . . . . 0.0 111.047 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -86.61 156.97 19.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.87 142.17 53.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.22 -0.3 . . . . 0.0 110.589 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.81 3.65 65.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.846 -0.974 . . . . 0.0 114.647 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.66 171.91 13.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 119.298 1.549 . . . . 0.0 111.396 176.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 m -93.37 166.36 12.33 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.64 157.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.467 1.107 . . . . 0.0 109.216 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -121.07 142.15 50.1 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.764 0.826 . . . . 0.0 110.333 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.6 t -135.15 88.54 25.92 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.285 1.034 . . . . 0.0 110.959 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.32 143.08 47.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.348 2.699 . . . . 0.0 111.129 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.0 p -162.55 166.53 24.63 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 111.35 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.0 p -153.72 169.46 23.27 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.15 0.58 . . . . 0.0 110.922 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -141.23 170.27 16.05 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.1 m -143.13 147.32 34.78 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.137 0.975 . . . . 0.0 110.343 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -153.62 154.85 30.93 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -67.21 154.34 74.52 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.048 2.499 . . . . 0.0 109.857 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 56.1 tt0 -80.35 -1.54 41.57 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.776 0.43 . . . . 0.0 111.842 -177.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.91 141.39 51.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.21 1.34 90.35 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.209 -0.773 . . . . 0.0 114.273 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 66.8 p-90 -151.44 165.83 32.94 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.76 1.28 . . . . 0.0 111.914 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.9 161.78 27.48 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -60.51 -27.83 67.91 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -86.86 -6.47 58.79 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.97 149.36 94.87 Favored Pre-proline 0 C--O 1.231 0.13 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.73 158.7 56.1 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.55 2.833 . . . . 0.0 109.892 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.99 147.47 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 122.593 0.357 . . . . 0.0 110.158 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -149.22 164.06 35.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.808 1.243 . . . . 0.0 110.161 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.8 155.49 26.19 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -148.92 170.8 17.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -135.91 147.03 47.97 Favored 'General case' 0 CA--C 1.522 -0.115 0 C-N-CA 124.365 1.066 . . . . 0.0 111.627 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -143.96 152.48 41.14 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.34 137.6 39.94 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.972 0.415 . . . . 0.0 110.639 -177.023 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.76 155.45 53.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.865 2.377 . . . . 0.0 110.063 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -83.32 -16.79 11.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 O-C-N 122.148 -0.345 . . . . 0.0 111.834 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.63 153.63 13.01 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.396 1.078 . . . . 0.0 108.809 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -162.36 154.96 19.53 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -90.39 -13.32 35.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.707 0.803 . . . . 0.0 110.929 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.059 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.62 173.58 14.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.11 0.564 . . . . 0.0 111.508 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -58.52 144.6 42.0 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.448 0.299 . . . . 0.0 111.33 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.8 65.83 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -84.35 -9.82 58.11 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.988 0.358 . . . . 0.0 111.043 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.444 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.28 -0.52 12.01 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -59.85 127.13 30.44 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.53 -1.48 43.91 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.643 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -113.39 -33.3 5.97 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.969 1.384 . . . . 0.0 112.063 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -87.44 141.45 28.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 174.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.32 147.44 22.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.3 mt -101.51 144.41 30.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 mt -115.98 171.27 7.89 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.676 0.79 . . . . 0.0 110.43 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.2 -155.44 50.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.258 7.5 p30 -137.26 144.85 42.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 178.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -23.82 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.833 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -81.58 5.32 18.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.302 0.641 . . . . 0.0 111.736 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t -126.77 15.09 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.941 0.897 . . . . 0.0 109.753 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 58.96 24.75 12.95 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.375 1.07 . . . . 0.0 113.227 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -82.46 144.85 30.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.7 p -128.03 9.94 6.35 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.339 0.656 . . . . 0.0 111.464 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 m -45.08 131.4 7.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.956 0.903 . . . . 0.0 111.482 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.6 tp -115.95 148.07 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 108.924 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.8 t -138.64 135.42 34.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 124.68 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -103.37 140.68 37.12 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.9 t0 48.68 62.4 2.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 147.68 37.64 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -139.18 165.54 26.89 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.738 0.815 . . . . 0.0 109.721 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.7 -13.8 26.11 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -76.39 -16.25 59.76 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.036 0.534 . . . . 0.0 111.529 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -83.69 -15.49 48.56 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 122.983 0.513 . . . . 0.0 111.83 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.564 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -65.31 133.61 51.79 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.99 -150.47 22.53 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.2 m -142.46 153.24 43.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.078 0.551 . . . . 0.0 109.974 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -148.37 166.65 27.44 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -144.48 158.71 43.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -94.25 154.57 17.47 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -131.81 137.24 48.05 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 122.436 0.294 . . . . 0.0 110.208 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.8 145.49 38.06 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 124.398 1.079 . . . . 0.0 110.288 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -150.94 119.43 6.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -153.48 131.71 11.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 109.082 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.96 -141.06 47.37 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -81.88 -5.9 58.64 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.102 0.451 . . . . 0.0 110.816 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -90.76 141.9 28.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.223 0.609 . . . . 0.0 112.163 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 145.33 31.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 174.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.43 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.8 t-105 -154.08 147.53 25.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.506 0.139 . . . . 0.0 111.137 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.4 m -116.11 131.13 57.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.667 0.387 . . . . 0.0 110.026 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.308 81.1 m-85 -82.04 57.93 3.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -134.99 158.11 45.18 Favored 'General case' 0 C--O 1.227 -0.094 0 C-N-CA 123.925 0.89 . . . . 0.0 108.909 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.234 0.248 0 O-C-N 122.182 -0.324 . . . . 0.0 110.82 -179.329 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.257 22.4 t80 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -145.9 136.89 24.57 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.138 0.575 . . . . 0.0 110.857 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.5 t -156.28 160.85 40.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.888 0.475 . . . . 0.0 111.793 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -76.9 169.78 17.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.081 0.467 . . . . 0.0 110.873 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -139.17 166.13 25.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.685 0.794 . . . . 0.0 110.673 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.48 123.67 45.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.2 t -102.45 142.92 32.87 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 172.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.12 141.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.149 0.58 . . . . 0.0 109.92 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.564 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.9 m-85 -130.27 147.05 51.95 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.8 t -135.43 143.45 36.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 122.795 0.438 . . . . 0.0 111.526 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -134.61 142.13 46.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.76 141.37 58.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.985 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.409 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.526 0.72 0 CA-C-O 119.412 -0.66 . . . . 0.0 113.585 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -60.17 149.11 33.86 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.71 -14.92 8.61 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.433 -0.648 . . . . 0.0 113.106 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.41 119.5 25.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.084 0.942 . . . . 0.0 112.653 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.7 mt -138.73 158.13 44.82 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.723 0.409 . . . . 0.0 110.527 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -143.93 143.51 31.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.105 0.562 . . . . 0.0 109.938 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.66 113.46 14.8 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -154.68 155.81 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.392 0.677 . . . . 0.0 110.702 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -67.82 119.27 12.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.511 0.724 . . . . 0.0 109.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.77 -19.13 64.31 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.61 124.35 7.86 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 118.35 0.523 . . . . 0.0 110.249 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -121.11 148.06 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.739 1.216 . . . . 0.0 108.242 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.81 141.97 42.9 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.89 154.63 7.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 122.906 0.482 . . . . 0.0 110.954 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.01 156.17 19.45 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -68.38 140.93 55.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.21 -0.306 . . . . 0.0 110.686 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.19 65.83 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.728 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.77 173.84 11.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 119.268 1.534 . . . . 0.0 111.696 176.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -91.75 167.41 12.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.72 155.32 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 124.539 1.136 . . . . 0.0 109.251 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -120.0 140.21 51.3 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.569 0.748 . . . . 0.0 110.157 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 t -134.35 89.12 28.28 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 123.732 0.813 . . . . 0.0 111.283 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -70.1 142.81 47.4 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.291 2.66 . . . . 0.0 111.237 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 p -161.48 167.66 25.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 122.196 0.198 . . . . 0.0 111.275 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -153.0 172.22 17.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.195 0.598 . . . . 0.0 110.692 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -141.41 170.71 15.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 t -147.72 149.63 32.79 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.042 0.537 . . . . 0.0 110.118 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -152.89 156.12 32.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -172.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.85 157.69 60.63 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.199 2.599 . . . . 0.0 110.339 173.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.7 tt0 -80.22 -1.93 42.72 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.142 0.577 . . . . 0.0 112.283 -177.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.76 139.82 55.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 4.98 90.06 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.75 -1.028 . . . . 0.0 114.326 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.3 p-90 -151.19 166.24 31.47 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 119.331 1.566 . . . . 0.0 112.88 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.94 166.36 22.53 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.04 -10.85 11.1 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -100.06 -5.3 28.21 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.952 0.501 . . . . 0.0 111.785 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -75.6 157.71 83.96 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -67.98 173.14 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.024 3.149 . . . . 0.0 112.072 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.08 140.1 27.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 124.0 0.92 . . . . 0.0 112.328 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -149.29 162.73 39.46 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.531 0.732 . . . . 0.0 111.026 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.81 156.23 26.57 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -152.24 172.49 16.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -138.46 147.78 43.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.729 1.212 . . . . 0.0 111.46 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -144.98 153.04 41.09 Favored 'General case' 0 CA--C 1.522 -0.12 0 C-N-CA 122.938 0.495 . . . . 0.0 110.584 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.63 146.51 42.37 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.85 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -72.32 154.45 56.25 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.911 2.407 . . . . 0.0 110.23 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -81.73 -16.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 122.319 -0.238 . . . . 0.0 111.539 175.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.88 151.41 14.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.011 0.924 . . . . 0.0 109.219 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -161.72 161.57 29.4 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -110.48 -1.31 17.06 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.558 0.743 . . . . 0.0 110.673 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.445 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.031 0.443 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.52 170.14 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.084 0 C-N-CA 123.642 0.777 . . . . 0.0 111.947 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.55 148.0 30.18 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.988 0.515 . . . . 0.0 111.406 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.89 64.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -84.28 -12.29 54.94 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.995 0.361 . . . . 0.0 111.377 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.452 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.66 -1.59 13.98 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.62 128.77 38.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.71 1.6 58.88 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.791 -1.005 . . . . 0.0 113.412 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -119.11 -35.59 3.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.867 1.333 . . . . 0.0 111.87 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.452 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -85.2 139.02 31.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -157.36 149.02 22.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.294 -0.254 . . . . 0.0 110.778 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.0 mt -100.37 141.14 33.63 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.0 mt -115.89 -11.01 11.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.818 0.447 . . . . 0.0 111.828 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.76 143.85 23.68 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.08 124.22 28.55 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.28 44.19 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 122.576 0.35 . . . . 0.0 111.424 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -84.01 4.69 28.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.911 0.484 . . . . 0.0 111.072 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -121.95 13.09 10.55 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.064 0.945 . . . . 0.0 110.422 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.03 21.66 8.06 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.371 1.068 . . . . 0.0 113.328 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.03 147.31 24.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -128.8 12.23 6.24 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.626 0.77 . . . . 0.0 112.282 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.6 m -44.54 126.95 5.75 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.66 0.784 . . . . 0.0 111.795 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.2 tp -110.04 149.74 29.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.526 1.13 . . . . 0.0 109.479 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.7 t -139.23 137.02 35.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.164 -0.335 . . . . 0.0 110.346 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.83 124.88 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -102.46 141.55 35.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 45.62 58.53 4.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.88 148.98 15.78 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -135.24 165.29 25.77 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 123.851 0.861 . . . . 0.0 109.879 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.97 -15.12 27.94 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -78.52 -15.49 58.53 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.287 0.635 . . . . 0.0 111.467 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -81.17 -13.04 59.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.544 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.5 tttt -66.43 133.33 50.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.53 -151.82 23.7 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -138.77 152.49 47.96 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 123.015 0.526 . . . . 0.0 109.991 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -146.61 165.08 30.61 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -139.58 155.2 47.62 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.101 0.561 . . . . 0.0 111.646 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -87.95 154.59 20.39 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -131.69 130.18 41.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.831 0.287 . . . . 0.0 110.418 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.2 146.49 25.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.676 0.79 . . . . 0.0 110.526 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -144.55 117.04 8.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 172.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -148.79 116.81 6.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.63 -138.89 47.66 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.6 m -79.36 -6.19 56.23 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.815 0.307 . . . . 0.0 111.404 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -95.11 145.16 25.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.362 0.665 . . . . 0.0 112.134 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 148.59 36.61 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.409 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.6 t-105 -150.89 151.57 32.39 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.425 0.155 . . . . 0.0 110.711 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.97 131.18 53.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.995 0.518 . . . . 0.0 110.261 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.305 79.4 m-85 -84.12 62.57 7.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -174.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -140.4 159.97 41.01 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.233 0.214 0 C-N-CA 122.475 0.31 . . . . 0.0 111.534 -176.25 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 33.9 t80 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -145.61 136.93 24.96 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.888 0.475 . . . . 0.0 110.72 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.6 t -158.36 157.05 31.62 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.118 0.567 . . . . 0.0 111.524 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.86 170.95 15.61 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.812 0.445 . . . . 0.0 111.013 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -136.25 169.37 17.75 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.001 0.92 . . . . 0.0 110.88 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.0 tp -100.53 127.79 46.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 t -106.44 143.32 34.72 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 172.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.39 140.4 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.094 0.558 . . . . 0.0 109.737 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.544 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.1 m-85 -129.35 146.59 51.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 14.7 t -135.55 143.25 37.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.989 0.515 . . . . 0.0 111.991 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -135.99 143.59 44.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.62 141.69 58.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.729 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.143 0 CA-C-O 119.171 -0.794 . . . . 0.0 113.363 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -66.99 152.33 45.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.929 1.365 . . . . 0.0 108.498 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.0 -15.71 9.99 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.62 0.629 . . . . 0.0 113.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.76 118.93 24.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.176 0.988 . . . . 0.0 113.273 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -139.14 151.37 46.59 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.642 0.377 . . . . 0.0 110.193 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.6 148.51 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -130.5 127.5 39.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -156.85 156.27 4.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.53 0.732 . . . . 0.0 110.445 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -65.45 117.75 8.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.41 -16.63 62.97 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 tp -152.36 122.76 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.267 0.485 . . . . 0.0 110.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.89 149.12 22.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.61 141.43 41.26 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.92 153.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.82 0.448 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -85.92 156.18 20.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.103 0.478 . . . . 0.0 109.785 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.33 139.82 54.27 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.089 -0.382 . . . . 0.0 110.877 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.88 3.92 63.73 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.874 -0.959 . . . . 0.0 114.806 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.46 176.94 9.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.264 1.532 . . . . 0.0 111.948 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -91.74 164.73 13.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -170.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.18 155.15 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 173.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -119.99 140.76 50.45 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.402 0.681 . . . . 0.0 110.322 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -133.66 88.47 33.56 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.944 0.898 . . . . 0.0 111.335 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.08 142.93 43.27 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.361 2.707 . . . . 0.0 111.01 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.6 p -161.43 167.16 26.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.434 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.8 t -153.74 166.22 33.54 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.81 0.444 . . . . 0.0 110.698 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -140.66 169.98 16.62 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.4 t -145.6 147.69 32.32 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.046 0.938 . . . . 0.0 110.122 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -154.54 155.52 30.72 Favored Pre-proline 0 N--CA 1.454 -0.251 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -174.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.45 157.59 61.19 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.232 2.621 . . . . 0.0 110.346 174.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.9 tt0 -79.68 0.39 30.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.943 0.497 . . . . 0.0 111.663 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.69 129.12 39.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.26 5.48 69.98 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 119.253 -0.749 . . . . 0.0 113.912 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -153.82 166.92 31.39 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.773 1.286 . . . . 0.0 112.076 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.0 164.7 23.71 Favored 'General case' 0 CA--C 1.526 0.043 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -62.6 -10.84 13.56 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 t -98.57 -9.18 25.24 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.034 0.533 . . . . 0.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.51 148.07 85.35 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.1 166.89 28.31 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.688 2.925 . . . . 0.0 110.217 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.58 146.38 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.705 0.402 . . . . 0.0 110.703 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -149.18 164.76 33.82 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.194 1.397 . . . . 0.0 110.433 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.19 158.26 26.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -151.68 171.41 17.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 -175.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -136.98 148.59 46.99 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.016 1.327 . . . . 0.0 111.272 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -144.94 151.23 38.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.869 0.468 . . . . 0.0 110.464 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -72.77 145.86 46.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.771 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -71.9 155.03 58.29 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.129 2.553 . . . . 0.0 110.744 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.23 -15.41 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.63 152.19 17.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.693 0.797 . . . . 0.0 109.701 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -161.45 166.25 27.53 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.596 0.358 . . . . 0.0 111.482 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -119.74 -1.37 10.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.731 0.812 . . . . 0.0 111.371 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.31 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -131.38 168.81 23.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -58.71 145.77 38.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.295 0.638 . . . . 0.0 110.803 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.25 -19.72 65.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -87.45 -4.36 59.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.956 0.344 . . . . 0.0 111.574 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -124.31 -6.66 7.64 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 176.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.26 132.08 52.79 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.83 0.348 . . . . 0.0 110.194 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.76 3.87 74.61 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.907 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -127.46 -35.15 2.19 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 118.422 1.111 . . . . 0.0 112.333 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -89.92 140.44 29.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 175.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -155.64 146.52 22.29 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 117.696 0.226 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.82 144.93 28.31 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.14 178.27 4.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.58 0.752 . . . . 0.0 109.864 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -151.14 36.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -141.07 130.04 23.2 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.61 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.136 0.575 . . . . 0.0 111.282 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -80.38 -4.65 54.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.291 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -107.13 10.63 30.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.02 0.928 . . . . 0.0 109.516 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 59.32 24.99 13.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.589 1.156 . . . . 0.0 113.147 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -83.08 143.02 30.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.1 p -122.64 10.93 9.76 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.281 0.633 . . . . 0.0 111.515 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -45.63 131.36 8.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.876 0.87 . . . . 0.0 112.292 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -116.56 149.17 40.07 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.974 0.91 . . . . 0.0 108.831 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 t -139.75 138.72 36.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.919 0.39 . . . . 0.0 110.103 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.9 137.57 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -124.75 140.9 52.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.506 0.722 . . . . 0.0 109.31 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.06 57.15 6.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.36 147.77 30.04 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -132.34 167.06 20.55 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.91 -17.08 55.46 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp85 -79.94 -14.09 58.87 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.023 0.374 . . . . 0.0 111.915 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.06 -15.45 58.89 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.552 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.6 tttt -64.65 130.87 45.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.773 0.429 . . . . 0.0 109.898 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.27 -151.63 23.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.7 m -138.56 154.68 48.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.203 0.601 . . . . 0.0 110.526 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -147.1 165.78 28.9 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.77 0.428 . . . . 0.0 110.075 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -140.77 157.47 45.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.392 0.677 . . . . 0.0 110.957 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -93.45 154.41 17.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -131.89 133.48 44.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.548 0.339 . . . . 0.0 110.382 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 tp -105.41 145.45 30.8 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.079 0.952 . . . . 0.0 110.306 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -149.49 119.86 7.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.046 0.539 . . . . 0.0 109.693 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -152.03 131.34 12.85 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.915 0.886 . . . . 0.0 108.616 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -140.56 47.11 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.0 m -79.94 -8.34 59.28 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.861 0.33 . . . . 0.0 111.379 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -91.69 144.33 25.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -144.37 149.84 36.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.562 1.145 . . . . 0.0 108.129 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -152.56 152.54 31.98 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.458 0.17 . . . . 0.0 110.814 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.85 130.65 53.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.171 0.588 . . . . 0.0 109.863 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 79.1 m-85 -85.22 61.63 6.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 -175.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -143.84 165.4 27.8 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.548 0.739 . . . . 0.0 109.604 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.011 0.434 . . . . 0.0 111.136 -178.856 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 12.6 t80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.25 143.75 29.41 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.327 0.251 . . . . 0.0 110.818 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.9 t -158.88 163.01 36.99 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.456 0.702 . . . . 0.0 111.353 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.485 ' HZ3' ' HB3' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -77.56 171.15 15.35 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.974 0.51 . . . . 0.0 110.882 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -139.16 166.16 25.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.224 1.01 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.38 125.59 46.66 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -104.41 143.24 33.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.0 t -128.61 141.38 46.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 122.857 0.463 . . . . 0.0 109.757 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.552 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -130.38 146.69 51.99 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.83 143.42 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.881 0.472 . . . . 0.0 111.641 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -136.32 142.81 43.9 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.89 141.39 58.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.972 0 CA-C-O 119.296 -0.725 . . . . 0.0 113.396 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.45 149.6 29.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.83 -16.22 7.1 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.861 0.743 . . . . 0.0 112.905 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -82.89 118.16 23.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.182 0.991 . . . . 0.0 113.243 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 mt -139.34 150.75 45.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.808 0.443 . . . . 0.0 110.134 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.68 146.53 28.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.752 0.421 . . . . 0.0 109.999 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.58 124.7 36.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.409 ' H ' ' HE3' ' A' ' 128' ' ' LYS . 10.6 p -155.62 156.92 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 110.746 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.76 118.21 9.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -67.3 -21.38 65.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.82 122.11 7.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.777 0.322 . . . . 0.0 110.213 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -117.2 148.71 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.418 1.087 . . . . 0.0 108.297 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.63 140.77 41.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.98 152.44 10.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 C-N-CA 122.725 0.41 . . . . 0.0 110.892 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -85.52 157.12 20.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -69.84 141.3 53.28 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.966 -0.459 . . . . 0.0 110.888 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 6.12 68.33 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 119.169 -0.795 . . . . 0.0 114.641 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.08 176.64 9.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.045 1.423 . . . . 0.0 111.497 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -91.85 167.32 12.23 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.44 154.55 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.439 1.096 . . . . 0.0 108.853 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -120.97 140.39 51.95 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 123.334 0.654 . . . . 0.0 109.781 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.67 88.88 32.3 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.95 142.59 43.05 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.045 2.496 . . . . 0.0 111.143 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.2 p -161.47 166.81 26.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.184 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.3 p -154.02 170.54 20.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.907 0.483 . . . . 0.0 110.861 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -141.41 172.15 13.08 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.85 145.98 28.91 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.932 0.893 . . . . 0.0 110.076 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -151.75 156.23 34.3 Favored Pre-proline 0 N--CA 1.454 -0.273 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -172.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -67.18 156.87 64.39 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.305 2.67 . . . . 0.0 109.828 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.5 tt0 -81.51 0.25 38.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.907 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -67.85 138.64 56.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.84 4.24 90.41 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.213 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -150.96 166.27 31.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.216 1.508 . . . . 0.0 112.723 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.18 164.57 23.12 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -61.69 -11.31 11.29 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -102.57 -4.44 25.25 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.09 0.556 . . . . 0.0 112.109 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 93.9 m-20 -77.14 141.36 66.98 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 44.7 Cg_exo -59.67 163.18 13.73 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.74 2.96 . . . . 0.0 111.866 173.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.47 146.85 17.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-O 120.934 0.397 . . . . 0.0 110.581 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -148.91 167.5 25.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.74 1.216 . . . . 0.0 110.296 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.01 158.24 27.35 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -150.37 168.73 23.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -175.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -133.52 148.66 51.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.67 1.188 . . . . 0.0 111.302 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -144.32 148.02 34.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -74.16 138.17 43.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.379 -177.34 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.45 152.01 54.14 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.965 2.443 . . . . 0.0 110.171 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -80.03 -16.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.54 149.95 11.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.263 1.025 . . . . 0.0 109.432 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 t -161.12 164.23 30.8 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -113.72 -1.26 14.02 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 111.043 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.773 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 pm0 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.995 0.426 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 m -126.54 172.88 13.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 123.788 0.835 . . . . 0.0 110.458 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -58.88 148.3 30.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.956 0.502 . . . . 0.0 111.429 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.41 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -83.99 -7.65 59.35 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.271 -0.268 . . . . 0.0 111.236 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.448 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -119.34 -1.25 10.81 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 177.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 131.52 50.94 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.15 59.94 Favored Glycine 0 CA--C 1.531 1.031 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.425 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -122.66 -35.89 2.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.481 1.14 . . . . 0.0 111.807 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -87.19 139.81 30.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -156.96 148.23 22.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -100.07 144.76 28.72 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 mt -119.78 178.17 4.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.664 0.785 . . . . 0.0 110.055 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.48 -152.09 37.13 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -139.6 130.41 26.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -28.71 44.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 122.935 0.494 . . . . 0.0 111.503 -177.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -79.89 -6.62 57.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.84 0.456 . . . . 0.0 111.065 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -105.63 11.96 31.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.964 0.906 . . . . 0.0 109.599 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 59.42 26.07 14.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.467 1.107 . . . . 0.0 113.15 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -82.54 147.56 28.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.25 11.2 6.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.519 0.728 . . . . 0.0 111.385 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.9 m -46.08 133.31 9.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.567 0.747 . . . . 0.0 112.02 -171.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -118.59 148.17 42.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.831 0.852 . . . . 0.0 109.201 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.5 t -138.65 136.68 36.15 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.303 -0.248 . . . . 0.0 110.43 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.62 124.81 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -102.25 140.88 35.94 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 46.53 56.77 6.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.82 13.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.53 158.96 38.53 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.714 0.806 . . . . 0.0 109.262 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -63.42 -10.71 18.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -78.72 -21.19 48.47 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.227 0.611 . . . . 0.0 111.119 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -73.36 -12.86 60.97 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.918 0.487 . . . . 0.0 111.938 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.569 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -63.92 129.73 41.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.83 -154.99 25.99 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 m -136.99 152.94 50.73 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.886 0.474 . . . . 0.0 109.8 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -147.52 165.23 30.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.0 156.5 46.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.315 0.646 . . . . 0.0 110.272 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -92.98 154.49 18.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -132.88 130.89 40.29 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 122.66 0.384 . . . . 0.0 110.423 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.1 tp -103.08 146.47 28.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.0 0.92 . . . . 0.0 110.377 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -150.15 119.91 7.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.4 ttm-85 -150.88 131.42 13.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.979 0.912 . . . . 0.0 108.585 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.34 -139.38 47.97 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -80.01 -12.64 59.69 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.481 -0.423 . . . . 0.0 111.139 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -86.96 144.2 27.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.511 0.724 . . . . 0.0 112.886 -175.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -144.85 150.12 36.56 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.796 1.238 . . . . 0.0 108.245 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 70.6 t-105 -152.25 154.0 34.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.478 0.18 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.4 t -123.57 129.71 51.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.045 0.538 . . . . 0.0 110.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.303 80.1 m-85 -84.43 63.07 7.61 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -174.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -142.9 160.17 40.84 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.264 0.626 . . . . 0.0 109.788 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.231 0.132 0 C-N-CA 122.669 0.387 . . . . 0.0 111.168 -177.304 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -144.86 135.28 24.31 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.615 0.245 . . . . 0.0 111.627 -173.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.9 t -159.79 158.44 31.14 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.383 0.673 . . . . 0.0 111.361 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.409 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 61.8 pttt -83.9 171.56 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.856 0.462 . . . . 0.0 110.985 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.33 170.61 15.75 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 124.154 0.981 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.5 131.4 46.43 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 t -111.25 142.58 43.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.98 139.06 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.569 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.8 m-85 -127.87 145.87 50.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.4 t -135.63 143.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -132.86 143.86 49.8 Favored 'General case' 0 CA--C 1.527 0.062 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.36 139.37 58.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.399 0.28 . . . . 0.0 110.83 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.46 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.901 0 CA-C-O 119.586 -0.563 . . . . 0.0 112.756 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.82 142.49 45.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.273 1.037 . . . . 0.0 113.786 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.62 -15.35 36.54 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.712 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -84.93 118.46 24.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.667 1.234 . . . . 0.0 112.623 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -137.21 151.04 48.31 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 122.43 0.292 . . . . 0.0 110.582 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.42 147.91 29.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -128.33 126.37 40.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.002 0.521 . . . . 0.0 109.604 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -156.63 156.34 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 C-N-CA 123.49 0.716 . . . . 0.0 110.822 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.26 118.8 9.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -67.44 -20.84 65.55 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -174.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.1 tp -153.21 124.19 7.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.168 0.44 . . . . 0.0 110.34 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.05 147.45 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 139.63 39.65 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.4 155.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.036 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -84.55 157.76 21.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.82 142.81 48.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.44 7.49 65.13 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 119.056 -0.858 . . . . 0.0 114.971 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.66 176.92 9.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.008 1.404 . . . . 0.0 111.304 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -91.4 165.92 13.15 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -169.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.36 144.85 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 124.372 1.069 . . . . 0.0 109.281 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -108.13 142.46 38.29 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.457 0.703 . . . . 0.0 110.021 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -136.33 86.32 24.71 Favored Pre-proline 0 N--CA 1.455 -0.207 0 C-N-CA 123.864 0.866 . . . . 0.0 111.415 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.85 141.83 45.94 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.985 2.456 . . . . 0.0 111.033 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.8 p -161.39 166.87 26.71 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.339 0.256 . . . . 0.0 111.178 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.3 p -153.22 168.64 25.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.802 0.441 . . . . 0.0 111.289 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -138.4 168.97 18.63 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.9 t -147.9 147.29 29.57 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.527 0.731 . . . . 0.0 109.97 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -152.57 156.01 33.04 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.42 157.18 62.96 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.109 2.539 . . . . 0.0 110.27 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.48 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.5 tt0 -79.02 -1.11 34.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.321 0.648 . . . . 0.0 112.352 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.74 129.5 40.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.14 7.35 73.63 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.152 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.48 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -153.83 167.91 28.08 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.933 1.367 . . . . 0.0 112.472 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.33 168.85 18.14 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.12 -10.92 16.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -97.34 -14.12 21.48 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.026 0.53 . . . . 0.0 111.354 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.01 145.78 86.68 Favored Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.14 164.6 35.14 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.913 3.076 . . . . 0.0 110.534 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -142.47 144.67 24.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.35 168.16 24.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.387 1.075 . . . . 0.0 110.924 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.46 158.04 27.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -150.96 171.01 17.95 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -136.91 149.25 47.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.824 1.25 . . . . 0.0 111.474 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -146.1 153.4 40.65 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -76.0 146.4 39.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.757 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.86 154.22 58.57 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.476 2.784 . . . . 0.0 110.145 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -83.42 -16.64 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.84 153.68 19.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.057 0.943 . . . . 0.0 109.502 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.77 164.28 29.01 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.579 0.352 . . . . 0.0 111.382 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -115.86 -2.91 12.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.589 0.755 . . . . 0.0 110.903 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.255 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.7 172.06 15.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.44 148.87 26.63 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.42 0.688 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.85 -22.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -83.07 -12.72 56.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.001 0.364 . . . . 0.0 111.433 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -114.88 -1.8 13.07 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 129.78 42.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.24 2.63 63.2 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.176 -0.791 . . . . 0.0 113.121 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -122.12 -32.58 3.66 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.294 1.047 . . . . 0.0 112.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.409 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.7 m-85 -97.19 136.85 37.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 175.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.53 154.37 30.2 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 120.511 0.196 . . . . 0.0 110.807 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.0 mt -106.03 145.18 31.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.465 0.306 . . . . 0.0 110.531 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.5 mt -121.82 174.39 6.89 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.385 1.074 . . . . 0.0 110.356 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 171.53 42.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -86.56 123.39 31.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.4 pt -69.08 -21.16 25.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 122.556 0.342 . . . . 0.0 111.236 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -84.41 -12.61 54.09 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.059 0.391 . . . . 0.0 110.871 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.3 t -94.48 11.74 29.75 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.656 0.782 . . . . 0.0 109.891 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 59.47 28.42 17.8 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.135 0.974 . . . . 0.0 112.691 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -78.88 143.08 36.25 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 174.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.6 p -129.19 9.65 5.71 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 111.38 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.1 m -45.02 115.61 0.93 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.272 1.029 . . . . 0.0 111.705 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.5 tp -90.65 144.04 26.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.7 t -134.09 134.83 42.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 68.3 mt -115.1 140.05 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 -122.94 142.42 50.84 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.746 0.819 . . . . 0.0 109.919 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 47.05 55.41 8.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 149.92 13.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -133.83 164.77 26.5 Favored 'General case' 0 CA--C 1.523 -0.06 0 C-N-CA 123.703 0.801 . . . . 0.0 109.683 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.57 -19.64 50.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -75.9 -14.78 60.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.672 0.389 . . . . 0.0 112.019 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.19 -13.56 59.62 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.2 tttt -66.11 134.48 52.89 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.072 0.549 . . . . 0.0 109.636 177.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.66 -149.82 21.82 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.9 m -138.32 153.17 49.01 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.166 0.587 . . . . 0.0 110.273 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -144.93 165.1 29.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.07 0.462 . . . . 0.0 109.947 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -140.38 156.96 46.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.251 28.6 t80 -94.69 154.62 17.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -131.28 133.76 45.73 Favored 'General case' 0 N--CA 1.458 -0.041 0 C-N-CA 122.657 0.383 . . . . 0.0 110.252 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.5 tp -103.67 147.34 27.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.679 0.791 . . . . 0.0 110.574 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.8 117.34 7.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -148.97 122.1 8.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.77 -138.33 47.2 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -81.62 -3.97 54.85 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 122.636 -0.332 . . . . 0.0 111.477 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -96.99 143.94 27.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.131 0.573 . . . . 0.0 112.258 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.55 146.2 34.39 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.512 1.125 . . . . 0.0 108.045 175.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -150.64 156.07 40.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.518 0.145 . . . . 0.0 111.057 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -125.13 131.67 53.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.078 0.551 . . . . 0.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.293 77.5 m-85 -86.81 60.89 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -173.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -141.26 155.72 45.97 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.455 -0.187 0 C-N-CA 122.456 0.303 . . . . 0.0 111.729 -176.205 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -145.7 131.32 18.86 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-O 121.153 0.501 . . . . 0.0 111.076 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.1 t -158.12 146.51 18.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.127 0.971 . . . . 0.0 109.874 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -71.24 168.61 16.92 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.257 0.623 . . . . 0.0 111.045 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -133.01 170.24 15.67 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.216 1.006 . . . . 0.0 111.218 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.0 tp -100.61 126.36 47.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.5 t -105.22 142.91 34.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 68.1 t -128.06 141.37 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.1 m-85 -130.07 147.01 51.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.07 143.67 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 122.935 0.494 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -131.74 143.22 50.08 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.77 141.3 58.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.714 0.292 . . . . 0.0 110.554 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 122.43 0.292 . . . . 0.0 110.54 -177.222 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.42 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.903 0 CA-C-O 119.578 -0.568 . . . . 0.0 113.409 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -59.99 148.67 34.53 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 174.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.25 -15.16 9.35 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.789 0.709 . . . . 0.0 112.83 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.84 113.72 19.97 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -136.27 150.82 49.1 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.514 0.326 . . . . 0.0 110.549 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -148.46 147.45 29.15 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -128.5 126.61 40.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -157.72 156.07 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.485 0.714 . . . . 0.0 110.731 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -65.72 116.4 6.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -69.9 -16.01 63.16 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.44 123.32 7.46 Favored 'General case' 0 C--N 1.337 0.053 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.71 147.65 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.58 141.24 45.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 177.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -153.52 155.13 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 122.48 0.312 . . . . 0.0 111.195 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -87.15 155.96 19.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.911 -0.493 . . . . 0.0 109.856 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -67.85 143.06 55.92 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.993 -0.442 . . . . 0.0 110.988 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.62 6.05 68.34 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.706 -1.052 . . . . 0.0 115.071 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.13 173.15 12.45 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.533 1.666 . . . . 0.0 111.863 176.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -91.84 166.61 12.65 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -171.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.73 157.03 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.514 1.126 . . . . 0.0 109.076 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -120.1 140.51 50.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.697 0.799 . . . . 0.0 110.341 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.99 90.17 27.33 Favored Pre-proline 0 CA--C 1.53 0.173 0 C-N-CA 124.006 0.922 . . . . 0.0 111.175 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.67 143.42 46.42 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.207 2.605 . . . . 0.0 111.553 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.3 p -161.88 166.85 25.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.532 0.206 . . . . 0.0 111.307 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -152.78 168.85 24.35 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.856 0.462 . . . . 0.0 111.19 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -139.44 170.5 15.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -148.04 148.52 30.77 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 109.943 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -152.49 155.8 33.02 Favored Pre-proline 0 CA--C 1.53 0.197 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -173.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 156.78 64.77 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.993 2.462 . . . . 0.0 109.931 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.8 tt0 -81.22 -1.13 43.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.941 0.496 . . . . 0.0 112.017 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -67.12 137.79 56.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.81 4.18 90.39 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.379 -0.679 . . . . 0.0 114.382 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.86 166.2 32.17 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 118.837 1.318 . . . . 0.0 112.086 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.64 163.64 24.63 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -64.07 -20.28 65.82 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -82.99 -15.79 49.79 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.806 0.442 . . . . 0.0 111.613 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -72.43 146.83 89.47 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -71.36 159.73 50.81 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.672 2.915 . . . . 0.0 109.983 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -140.53 146.42 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.767 0.427 . . . . 0.0 110.406 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -149.12 168.46 23.15 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.83 1.252 . . . . 0.0 110.194 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.81 158.43 27.66 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -149.97 174.94 12.15 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -136.33 149.05 48.21 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 124.224 1.009 . . . . 0.0 111.36 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.3 150.54 40.97 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.21 135.32 37.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.692 -176.259 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.83 153.94 58.72 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 123.096 2.531 . . . . 0.0 110.581 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.87 -14.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.078 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.19 154.63 19.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.442 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 t -160.08 164.58 32.97 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -118.5 -2.99 10.94 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.689 0.796 . . . . 0.0 110.641 174.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 . . . . . 0 N--CA 1.45 -0.439 0 C-N-CA 123.581 0.752 . . . . 0.0 109.144 177.06 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.38 0.134 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.31 173.59 13.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 123.816 0.847 . . . . 0.0 112.158 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -58.82 146.72 36.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.159 0.584 . . . . 0.0 110.958 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.7 65.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.889 -175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.8 -9.34 56.05 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 118.299 0.5 . . . . 0.0 111.366 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.97 -10.43 12.9 Favored 'General case' 0 C--O 1.227 -0.087 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -61.43 134.51 56.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.88 0.372 . . . . 0.0 110.04 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.38 2.89 85.24 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.818 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 mtm105 -131.45 -41.18 1.09 Allowed 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.395 1.098 . . . . 0.0 112.226 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -84.68 137.08 33.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -155.65 149.21 25.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.52 0.2 . . . . 0.0 110.735 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.0 mt -102.0 144.52 30.5 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.858 -0.155 . . . . 0.0 110.669 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.6 mt -119.97 173.19 7.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.783 0.833 . . . . 0.0 110.599 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.9 174.74 43.04 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.33 123.55 34.18 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.7 pt -68.92 -22.39 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 122.568 0.347 . . . . 0.0 110.957 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -82.6 -13.13 57.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.128 0.422 . . . . 0.0 110.867 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 t -94.77 12.6 27.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.476 0.71 . . . . 0.0 109.83 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 60.19 27.33 16.81 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.123 0.969 . . . . 0.0 112.95 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -78.3 143.54 36.89 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.2 p -127.89 10.0 6.43 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.961 0.504 . . . . 0.0 111.32 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -44.73 133.18 6.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.759 0.824 . . . . 0.0 111.599 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -116.77 146.47 42.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.613 0.765 . . . . 0.0 109.051 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -135.01 134.45 40.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.42 133.48 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -113.27 143.96 43.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.146 0.579 . . . . 0.0 109.812 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 46.88 53.12 10.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.92 25.0 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.661 0.267 . . . . 0.0 111.675 -173.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -118.67 162.63 18.1 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.847 0.859 . . . . 0.0 109.232 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.23 -22.04 66.61 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.13 -0.356 . . . . 0.0 111.332 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -82.32 -13.86 56.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.732 0.413 . . . . 0.0 111.496 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.16 -10.83 60.3 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.579 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.4 tttt -63.89 134.27 54.84 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.985 0.914 . . . . 0.0 109.124 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.03 -150.01 21.56 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.4 m -141.96 156.4 45.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.044 0.538 . . . . 0.0 110.429 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -148.61 167.24 25.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -174.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -145.01 158.02 43.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 30.5 t80 -92.92 154.19 18.34 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -129.8 134.41 47.55 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.631 0.373 . . . . 0.0 110.242 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.0 tp -106.86 145.14 32.52 Favored 'General case' 0 C--O 1.227 -0.088 0 C-N-CA 124.0 0.92 . . . . 0.0 110.509 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -150.21 119.6 6.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.033 0.533 . . . . 0.0 109.823 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -153.75 131.51 11.56 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.26 47.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 m -84.36 -0.16 51.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 117.032 0.416 . . . . 0.0 111.427 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -96.98 139.16 33.42 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.211 0.604 . . . . 0.0 112.036 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -142.79 142.62 31.92 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.732 1.213 . . . . 0.0 109.121 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.42 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.5 t-105 -152.97 154.96 36.05 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.3 p -128.61 132.78 48.17 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.958 0.503 . . . . 0.0 110.018 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.285 80.8 m-85 -82.79 63.81 7.09 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -140.66 161.04 38.7 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.397 0.679 . . . . 0.0 109.364 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 CA--C 1.532 0.251 0 C-N-CA 122.571 0.349 . . . . 0.0 111.554 -179.806 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.282 17.7 t80 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -146.33 143.13 28.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.675 0.274 . . . . 0.0 110.69 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.1 t -157.56 162.25 38.78 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.235 0.614 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.505 ' HB3' ' HZ1' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -77.96 170.0 17.34 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.046 0.539 . . . . 0.0 110.996 -179.113 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -140.12 167.28 22.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.762 0.825 . . . . 0.0 110.199 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.3 tp -100.48 127.15 46.91 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.4 t -105.96 142.53 35.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.0 t -126.0 136.32 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.763 0.425 . . . . 0.0 109.964 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.579 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.8 m-85 -125.0 147.35 48.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.1 t -135.98 143.36 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.68 146.06 49.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.4 140.31 58.86 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.082 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.355 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 CA-C-O 119.784 -0.453 . . . . 0.0 113.344 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.0 147.24 53.83 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.359 1.079 . . . . 0.0 111.155 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 -16.44 18.53 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.102 0.858 . . . . 0.0 113.048 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.65 116.1 21.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.314 1.057 . . . . 0.0 112.438 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.8 mt -137.14 151.99 49.45 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 122.885 0.474 . . . . 0.0 110.472 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -148.53 147.84 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -129.94 127.37 39.95 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -157.69 156.26 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.163 0.585 . . . . 0.0 110.517 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.45 118.6 9.65 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -70.69 -17.53 62.84 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -174.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -152.24 123.07 7.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.097 0.408 . . . . 0.0 110.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.74 148.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 124.482 1.113 . . . . 0.0 108.183 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.87 140.83 42.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 177.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -152.65 153.77 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.852 0.461 . . . . 0.0 110.869 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -86.68 156.22 20.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.0 140.27 55.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.139 -0.35 . . . . 0.0 110.409 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.02 6.09 65.44 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.626 -1.096 . . . . 0.0 114.754 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.05 174.58 10.92 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.294 1.547 . . . . 0.0 111.498 176.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -91.96 167.77 11.88 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.87 154.89 6.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 124.642 1.177 . . . . 0.0 109.404 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -118.78 141.12 48.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.391 0.677 . . . . 0.0 110.06 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.8 t -134.59 88.78 28.01 Favored Pre-proline 0 N--CA 1.458 -0.074 0 C-N-CA 123.731 0.812 . . . . 0.0 110.923 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.6 141.14 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 122.962 2.441 . . . . 0.0 111.302 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 p -161.63 166.49 26.75 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.767 0.318 . . . . 0.0 111.35 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.5 p -153.64 168.2 27.02 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -137.98 170.26 16.36 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.9 t -147.61 149.79 33.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.795 0.838 . . . . 0.0 110.059 177.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -152.84 155.96 32.62 Favored Pre-proline 0 C--O 1.234 0.239 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.78 159.92 51.75 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.24 2.626 . . . . 0.0 109.986 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.479 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.5 tt0 -77.62 -0.82 28.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.899 0.48 . . . . 0.0 112.036 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.58 126.24 28.7 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.41 68.39 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.097 -0.835 . . . . 0.0 114.323 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.479 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -151.3 167.55 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.951 1.376 . . . . 0.0 112.532 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.29 165.85 20.61 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.89 -7.54 5.33 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 115.219 1.562 . . . . 0.0 115.219 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -109.72 -3.84 16.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.76 0.424 . . . . 0.0 111.934 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.0 146.01 84.41 Favored Pre-proline 0 N--CA 1.454 -0.275 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.07 159.95 48.74 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.705 2.937 . . . . 0.0 110.04 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.83 141.62 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.67 0.388 . . . . 0.0 110.311 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -149.25 170.54 18.24 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 124.524 1.13 . . . . 0.0 110.493 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.71 162.84 28.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -151.68 175.41 12.41 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -174.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -136.72 150.53 48.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.322 1.049 . . . . 0.0 111.812 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.84 153.05 41.2 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -75.19 136.72 41.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 121.044 0.45 . . . . 0.0 110.736 -175.806 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.601 0.239 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.96 158.02 46.52 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.444 2.763 . . . . 0.0 110.456 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -84.79 -15.16 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.98 155.29 23.08 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.098 0.959 . . . . 0.0 109.617 175.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -161.17 165.96 28.63 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-O 120.85 0.357 . . . . 0.0 111.624 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -121.27 0.33 10.05 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.602 0.761 . . . . 0.0 110.807 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 176.729 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.08 172.45 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -58.52 146.82 34.18 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.072 0.549 . . . . 0.0 111.079 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.24 65.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.586 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -82.1 -8.4 59.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.94 0.337 . . . . 0.0 110.993 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 p -123.59 -0.65 8.61 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -61.14 128.91 38.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.31 2.58 59.58 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 119.444 -0.642 . . . . 0.0 113.342 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -121.63 -29.64 4.34 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.506 1.153 . . . . 0.0 112.122 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -97.75 138.63 34.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.8 153.47 28.36 Favored 'General case' 0 N--CA 1.458 -0.067 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -108.41 145.07 35.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.483 0.313 . . . . 0.0 110.256 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.51 168.84 10.3 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.065 0.946 . . . . 0.0 110.301 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.53 174.57 46.41 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.35 138.7 31.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.32 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 C-N-CA 122.563 0.345 . . . . 0.0 110.985 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -83.22 -13.2 55.83 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.842 0.457 . . . . 0.0 111.332 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.4 t -91.76 7.56 41.17 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.214 0.605 . . . . 0.0 110.556 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 57.91 27.75 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.044 0.937 . . . . 0.0 112.453 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -78.52 142.78 37.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -127.87 8.38 6.25 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.083 0.553 . . . . 0.0 111.523 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -44.43 116.99 1.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.172 0.989 . . . . 0.0 111.653 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.3 tp -95.04 145.99 24.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.358 0.663 . . . . 0.0 109.598 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -134.87 133.52 39.77 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.87 132.28 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -113.76 140.93 47.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.767 0.827 . . . . 0.0 109.873 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 47.37 56.19 7.27 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.09 149.93 18.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -135.09 163.57 29.61 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.796 0.838 . . . . 0.0 109.608 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.57 -21.46 60.35 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -80.19 -12.77 59.61 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -75.93 -12.04 60.07 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.13 -0.356 . . . . 0.0 110.901 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.59 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -64.99 132.29 48.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.142 0.577 . . . . 0.0 109.481 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.87 -149.58 21.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.3 m -141.29 154.38 45.7 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.956 0.502 . . . . 0.0 110.936 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -147.77 167.41 24.77 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -144.52 160.23 41.46 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -94.82 154.41 17.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.96 135.06 47.88 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.764 0.425 . . . . 0.0 110.584 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.99 145.37 31.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.418 1.087 . . . . 0.0 110.37 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -150.59 120.13 6.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -153.6 130.33 10.82 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.87 -139.86 45.15 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.5 m -81.5 -4.71 56.7 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.356 -0.496 . . . . 0.0 111.55 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.0 ttp -88.89 139.02 30.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.705 0.802 . . . . 0.0 112.22 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 146.46 34.06 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 173.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -156.27 151.16 26.15 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.805 0.275 . . . . 0.0 110.821 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.5 m -121.5 129.25 52.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.086 0.554 . . . . 0.0 110.022 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.284 76.4 m-85 -82.73 64.94 7.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.16 159.07 42.98 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.591 0.356 . . . . 0.0 110.128 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.121 0.486 . . . . 0.0 111.92 -176.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 32.4 t80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -146.35 154.03 41.2 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.136 0.493 . . . . 0.0 111.153 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -164.63 153.18 12.57 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.488 ' HB3' ' HZ2' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -70.54 169.57 13.92 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.152 0.501 . . . . 0.0 110.888 179.595 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -137.0 166.52 23.47 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.889 0.875 . . . . 0.0 110.739 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.59 126.34 47.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.453 0.701 . . . . 0.0 109.401 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.7 t -105.25 143.14 33.84 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -127.99 140.59 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 122.852 0.461 . . . . 0.0 109.923 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.59 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.2 m-85 -129.05 148.29 50.99 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.004 0.522 . . . . 0.0 111.759 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -135.46 143.99 46.19 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 105.486 -2.042 . . . . 0.0 105.486 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.18 139.67 58.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.847 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.19 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.27 143.56 52.46 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.241 1.021 . . . . 0.0 113.188 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.67 -15.03 54.07 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 123.839 0.733 . . . . 0.0 112.725 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -86.33 119.77 26.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.034 0.917 . . . . 0.0 112.479 174.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -136.08 158.6 44.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.667 0.27 . . . . 0.0 110.678 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -144.58 147.49 33.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.699 0.8 . . . . 0.0 109.687 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -131.64 114.08 14.37 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -154.16 153.83 7.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 123.018 0.527 . . . . 0.0 110.663 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -66.7 118.65 10.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.92 -18.14 64.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.52 125.56 7.89 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.328 0.513 . . . . 0.0 110.14 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.39 150.69 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.58 142.89 43.39 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 177.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.24 155.74 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.916 0.486 . . . . 0.0 110.969 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -90.07 154.81 19.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.21 142.86 56.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.195 -0.315 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.24 3.85 72.07 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.911 -0.938 . . . . 0.0 114.946 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.6 176.07 9.89 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.259 1.53 . . . . 0.0 111.878 176.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -91.58 170.11 10.2 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -169.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.52 154.74 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 124.59 1.156 . . . . 0.0 108.936 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -119.91 139.44 52.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.225 0.61 . . . . 0.0 109.729 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.7 t -134.08 89.79 27.89 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.004 0.922 . . . . 0.0 111.228 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.8 143.59 46.24 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.148 2.565 . . . . 0.0 110.822 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 p -161.1 167.0 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 111.005 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.0 t -152.59 169.47 22.59 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.387 0.675 . . . . 0.0 110.404 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.46 169.97 16.67 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -146.3 149.5 33.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' CD2' ' HE2' ' A' ' 115' ' ' MET . 8.4 p90 -153.52 156.39 32.31 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -172.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.32 157.78 60.37 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.357 2.705 . . . . 0.0 109.805 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -82.19 -2.31 51.87 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -70.05 133.62 47.4 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.67 2.12 79.43 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.242 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -148.88 163.95 35.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.15 1.475 . . . . 0.0 112.461 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.72 166.58 17.88 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 176.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -64.53 -19.58 65.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -88.36 -9.9 51.16 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.779 0.432 . . . . 0.0 112.129 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -76.58 147.74 78.89 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.59 160.62 47.8 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.776 2.984 . . . . 0.0 110.267 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.74 146.08 21.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -147.79 164.66 32.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.571 1.149 . . . . 0.0 109.891 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.84 155.15 24.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -148.28 169.96 18.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -137.47 147.09 45.03 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.458 1.103 . . . . 0.0 111.365 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -144.57 151.83 39.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.82 0.448 . . . . 0.0 111.662 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -70.86 145.64 50.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.096 178.063 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.09 155.41 52.35 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.013 2.475 . . . . 0.0 110.019 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 122.247 -0.283 . . . . 0.0 111.395 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.55 152.42 12.06 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.301 1.04 . . . . 0.0 108.85 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.5 t -161.73 154.91 20.86 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.847 -0.533 . . . . 0.0 112.374 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -92.02 -10.86 37.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.635 0.774 . . . . 0.0 111.023 173.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.765 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.73 173.15 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 123.316 0.647 . . . . 0.0 111.803 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.64 144.3 43.61 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.564 0.346 . . . . 0.0 111.002 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.04 66.26 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.16 -9.12 58.82 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.019 0.372 . . . . 0.0 111.403 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.427 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -115.23 0.38 13.5 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.16 123.58 17.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.42 -4.71 32.72 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.088 -0.84 . . . . 0.0 113.82 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mtm105 -107.67 -30.17 8.72 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.786 1.293 . . . . 0.0 111.83 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.427 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -93.54 142.35 27.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.66 147.42 21.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 mt -102.18 144.4 30.77 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.8 mt -118.23 176.53 5.18 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.853 0.861 . . . . 0.0 110.233 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.23 -150.11 33.22 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -140.88 130.29 23.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -29.73 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.936 0.495 . . . . 0.0 111.496 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -79.92 -4.07 50.83 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.794 0.438 . . . . 0.0 110.645 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -109.69 13.84 23.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.284 1.034 . . . . 0.0 110.02 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 59.09 21.64 9.63 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.49 1.116 . . . . 0.0 113.537 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -82.95 141.99 31.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.01 11.52 8.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.044 0.537 . . . . 0.0 111.883 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.5 m -45.19 134.43 6.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.491 0.716 . . . . 0.0 112.174 -171.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.6 tp -118.1 149.02 41.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.027 0.931 . . . . 0.0 109.072 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -139.78 135.41 33.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 122.501 0.32 . . . . 0.0 110.4 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.19 132.27 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -112.7 141.82 46.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.35 0.66 . . . . 0.0 109.589 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 48.03 55.02 9.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.65 150.07 16.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 112.004 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -135.0 164.01 28.59 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.238 1.015 . . . . 0.0 109.553 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.18 -20.19 57.5 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.9 -17.96 58.61 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.018 0.372 . . . . 0.0 111.886 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -72.72 -13.11 61.26 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.576 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.1 tttt -65.88 128.88 37.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 109.7 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.82 -151.14 22.68 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.5 m -140.59 153.9 46.28 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.913 0.485 . . . . 0.0 110.848 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -148.34 165.95 29.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.19 156.93 45.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.033 0.533 . . . . 0.0 111.071 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -88.0 154.72 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -136.69 132.88 35.51 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.056 0.389 . . . . 0.0 110.824 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.3 tp -104.06 146.36 28.83 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.168 0.987 . . . . 0.0 110.165 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -150.13 121.27 7.76 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -153.89 131.19 11.21 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 123.631 0.772 . . . . 0.0 109.244 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.1 -138.89 49.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.6 p -84.78 -9.08 58.52 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 117.445 0.623 . . . . 0.0 110.654 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.413 ' HE2' ' CD2' ' A' ' 35' ' ' TYR . 39.7 ttp -86.11 138.68 31.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.853 0.861 . . . . 0.0 111.637 -177.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -154.51 149.73 27.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.4 t-105 -154.76 139.04 16.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.394 0.14 . . . . 0.0 111.335 -174.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.7 p -101.13 130.11 47.13 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.008 0.523 . . . . 0.0 109.684 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.271 79.3 m-85 -82.87 61.28 5.83 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -137.99 160.29 39.74 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.019 0.528 . . . . 0.0 110.17 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 CA--C 1.532 0.269 0 C-N-CA 122.977 0.511 . . . . 0.0 111.318 -178.59 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.5 t80 . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -145.98 139.03 25.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 117.776 0.262 . . . . 0.0 110.746 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.2 t -158.74 156.88 30.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.463 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -74.98 168.45 19.94 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.198 0.599 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -136.77 169.7 17.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.019 0.927 . . . . 0.0 110.319 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.19 120.45 39.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 142.8 30.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.08 139.92 50.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.576 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.8 m-85 -127.27 148.04 50.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.3 t -135.05 143.52 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 122.741 0.416 . . . . 0.0 111.753 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.77 144.93 46.07 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 140.91 58.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.529 0.964 0 CA-C-O 119.946 -0.363 . . . . 0.0 112.826 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.51 140.64 53.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.37 -14.29 46.43 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 123.613 0.625 . . . . 0.0 113.062 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -85.0 119.0 24.91 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.973 0.887 . . . . 0.0 113.146 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -138.85 151.02 46.65 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 118.054 0.388 . . . . 0.0 110.476 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.44 148.46 30.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.851 0.46 . . . . 0.0 109.767 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -128.76 128.01 43.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.158 0.583 . . . . 0.0 109.636 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -156.45 157.54 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 110.743 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.57 120.35 12.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mp0 -69.4 -21.82 63.74 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -153.3 125.1 7.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.024 0.375 . . . . 0.0 110.05 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 t -119.13 148.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.28 138.84 40.49 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.69 155.69 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 122.735 0.414 . . . . 0.0 111.615 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -89.45 156.96 18.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.46 145.44 54.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.151 -0.343 . . . . 0.0 110.929 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 5.89 68.61 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.082 -0.843 . . . . 0.0 114.758 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.6 171.69 14.34 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.114 1.457 . . . . 0.0 111.305 176.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.1 m -92.05 165.92 12.94 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -170.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.16 147.01 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 124.031 0.932 . . . . 0.0 109.681 175.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -109.56 140.48 43.31 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.791 0.836 . . . . 0.0 109.641 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -135.33 90.4 20.83 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 123.865 0.866 . . . . 0.0 111.571 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -66.26 148.86 85.26 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.176 2.584 . . . . 0.0 112.001 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 43.1 t -157.78 150.82 23.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.602 0.761 . . . . 0.0 110.927 -175.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -150.83 162.6 40.44 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.09 0.556 . . . . 0.0 110.858 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -139.68 170.5 15.78 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.4 t -147.55 145.63 29.14 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.79 0.836 . . . . 0.0 109.96 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -154.24 155.68 31.13 Favored Pre-proline 0 CA--C 1.529 0.146 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.58 155.69 67.62 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.108 2.539 . . . . 0.0 110.205 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.453 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.0 tt0 -80.94 -1.93 45.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.292 0.637 . . . . 0.0 112.26 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.5 141.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.54 90.59 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.849 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -151.22 166.14 31.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.938 1.369 . . . . 0.0 112.387 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.15 166.76 21.08 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.51 -11.98 19.57 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -98.26 -13.31 20.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.101 0.561 . . . . 0.0 111.76 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.08 146.26 89.73 Favored Pre-proline 0 N--CA 1.454 -0.252 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.41 161.88 44.15 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.75 2.967 . . . . 0.0 109.736 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.7 p -145.33 146.56 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.2 166.4 28.99 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.638 1.175 . . . . 0.0 110.253 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.66 158.49 27.68 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -150.79 168.51 24.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -133.41 146.96 51.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.63 1.172 . . . . 0.0 111.21 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -142.38 149.58 39.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -77.54 136.83 38.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.287 -176.419 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.61 156.28 57.91 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.068 2.512 . . . . 0.0 109.788 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -80.96 -17.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.8 151.32 14.42 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.849 0.86 . . . . 0.0 109.184 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.0 t -161.58 165.75 27.97 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.576 0.351 . . . . 0.0 111.574 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.93 -1.59 12.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.571 0.748 . . . . 0.0 111.004 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.136 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 . . . . . 0 CA--C 1.528 0.126 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.69 171.88 16.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.089 0.556 . . . . 0.0 112.496 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -58.83 144.86 42.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.904 0.482 . . . . 0.0 110.798 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.1 -23.79 65.87 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -84.7 -11.43 55.89 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.112 0.414 . . . . 0.0 111.083 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.43 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -113.34 -0.65 14.46 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.65 130.51 46.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.41 2.88 60.62 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.358 -0.69 . . . . 0.0 113.42 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -121.79 -35.41 3.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.366 1.083 . . . . 0.0 112.139 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.84 137.85 31.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 175.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.96 150.97 24.84 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.842 0.292 . . . . 0.0 110.68 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.4 mt -101.07 144.88 29.45 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -118.41 168.12 10.94 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.398 0.679 . . . . 0.0 110.089 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.96 175.14 41.47 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -95.53 134.14 38.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.14 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-O 120.744 0.306 . . . . 0.0 110.465 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -78.6 -13.05 60.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.359 0.664 . . . . 0.0 110.512 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -96.84 10.85 37.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.735 0.814 . . . . 0.0 109.741 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 60.53 25.8 15.46 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.544 1.137 . . . . 0.0 113.099 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -79.05 147.23 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 2.1 p -134.58 15.12 3.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.123 0.969 . . . . 0.0 111.299 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.3 m -52.54 133.02 36.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.321 0.649 . . . . 0.0 111.0 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -111.16 146.11 37.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.975 0.91 . . . . 0.0 108.745 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -136.55 137.11 39.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.6 mt -116.97 124.85 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -101.24 138.26 38.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.48 0.712 . . . . 0.0 109.747 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 46.07 59.45 3.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.8 150.61 12.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 120.959 0.409 . . . . 0.0 111.9 -174.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -137.0 166.37 23.82 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.072 0.949 . . . . 0.0 109.76 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.02 -17.76 54.02 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -75.38 -15.14 60.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -81.0 -12.85 59.29 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.553 0.341 . . . . 0.0 111.54 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.543 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 87.1 tttt -67.24 134.81 52.35 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.014 0.526 . . . . 0.0 109.672 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.47 -153.54 25.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.3 m -135.92 152.05 50.6 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.082 0.553 . . . . 0.0 110.456 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -145.64 165.99 27.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.65 157.18 44.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 23.4 t80 -96.84 154.62 17.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -133.14 133.14 42.47 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.755 0.422 . . . . 0.0 110.575 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.5 tp -105.67 146.38 29.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.049 0.94 . . . . 0.0 110.433 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -150.87 119.14 6.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.988 0.515 . . . . 0.0 109.64 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -153.1 132.42 12.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.74 -141.6 44.55 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -81.82 -3.89 55.09 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.447 -0.443 . . . . 0.0 111.432 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -92.45 142.36 27.51 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.4 0.619 . . . . 0.0 112.058 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.53 145.92 32.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.777 1.231 . . . . 0.0 107.868 174.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.3 t-105 -152.99 152.63 31.62 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-N 117.61 0.187 . . . . 0.0 110.961 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 t -120.61 130.16 54.05 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 123.028 0.531 . . . . 0.0 109.92 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.263 79.1 m-85 -87.26 66.64 9.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -144.01 157.8 44.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.916 0.388 . . . . 0.0 111.544 -178.138 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.6 t80 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -146.1 140.07 26.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.647 0.261 . . . . 0.0 111.115 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.4 t -160.43 166.05 29.95 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.728 0.811 . . . . 0.0 110.229 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -75.39 164.6 26.23 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.247 0.546 . . . . 0.0 112.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -140.4 159.09 42.96 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.579 1.152 . . . . 0.0 109.592 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.5 tp -100.7 128.72 46.64 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -108.17 142.84 37.79 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.63 141.72 45.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.543 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 35.0 m-85 -129.94 145.8 51.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.0 t -136.63 143.21 35.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 122.775 0.43 . . . . 0.0 111.908 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -134.87 146.33 49.12 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.99 141.38 58.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.522 0.201 . . . . 0.0 110.761 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.703 0.287 . . . . 0.0 110.439 -178.022 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.531 1.041 0 CA-C-O 119.726 -0.486 . . . . 0.0 113.203 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.75 140.93 46.03 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.19 -15.5 44.13 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.245 -0.753 . . . . 0.0 112.864 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -84.7 117.24 23.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.583 1.191 . . . . 0.0 112.637 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt -137.22 151.79 49.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.884 0.311 . . . . 0.0 110.662 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -148.62 146.98 28.45 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -130.76 128.31 40.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 p -157.46 157.64 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.78 0.832 . . . . 0.0 110.101 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -65.79 118.05 9.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.89 -17.55 63.35 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.46 124.97 7.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.106 0.412 . . . . 0.0 110.091 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -120.91 148.68 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.2 1.0 . . . . 0.0 108.431 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.91 141.28 42.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.75 155.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 C-N-CA 122.85 0.46 . . . . 0.0 111.541 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -87.69 157.94 18.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.37 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -71.9 140.66 49.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.212 -0.305 . . . . 0.0 110.504 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.87 4.46 65.17 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.851 -0.971 . . . . 0.0 114.642 175.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.69 174.81 10.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.029 1.414 . . . . 0.0 111.633 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -91.79 169.62 10.55 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.07 155.35 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 C-N-CA 124.784 1.234 . . . . 0.0 109.302 173.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -120.39 141.38 50.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.443 0.697 . . . . 0.0 110.239 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 t -134.71 88.53 28.08 Favored Pre-proline 0 CA--C 1.528 0.105 0 C-N-CA 123.651 0.78 . . . . 0.0 111.191 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -71.2 142.27 41.31 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.1 2.533 . . . . 0.0 111.319 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.9 p -161.96 166.89 25.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.36 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.8 p -153.79 170.55 20.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.902 0.481 . . . . 0.0 111.331 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.34 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -146.71 148.83 32.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.659 0.783 . . . . 0.0 110.087 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.423 ' CD2' ' HE3' ' A' ' 115' ' ' MET . 8.0 p90 -154.6 156.63 31.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -67.08 157.84 59.74 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.305 2.67 . . . . 0.0 110.281 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.467 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.96 -2.21 46.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.198 0.599 . . . . 0.0 112.505 -176.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.52 133.27 47.48 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.26 2.58 79.97 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.341 -0.7 . . . . 0.0 114.361 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.467 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.4 p-90 -149.53 167.43 26.31 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 118.875 1.337 . . . . 0.0 112.299 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.22 167.13 18.92 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.56 -0.04 0.85 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.3 p -128.1 0.2 5.85 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.922 0.489 . . . . 0.0 112.307 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -72.69 143.82 85.22 Favored Pre-proline 0 N--CA 1.454 -0.229 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -59.28 157.36 30.88 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.258 2.639 . . . . 0.0 111.544 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 p -146.03 146.05 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -148.97 166.12 29.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.815 1.246 . . . . 0.0 110.112 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.81 156.44 26.89 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -148.95 169.22 21.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -135.2 147.88 49.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.637 1.175 . . . . 0.0 111.476 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -143.22 148.78 37.0 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -75.92 138.26 40.9 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.891 0.377 . . . . 0.0 110.455 -177.375 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.66 154.58 59.52 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.884 2.389 . . . . 0.0 110.099 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -82.24 -16.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.99 153.79 14.6 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.063 0.945 . . . . 0.0 109.075 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -161.04 155.79 23.68 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -94.26 -12.73 27.54 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.812 0.845 . . . . 0.0 111.19 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.068 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.563 0.22 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.2 170.36 19.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 123.439 0.696 . . . . 0.0 111.381 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -58.44 146.3 35.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.791 0.436 . . . . 0.0 111.102 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.39 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.96 -10.04 51.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.302 0.501 . . . . 0.0 111.486 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -112.97 -9.14 13.63 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.37 132.55 54.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.636 0.374 . . . . 0.0 110.619 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.68 1.96 73.88 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.409 -0.662 . . . . 0.0 113.163 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -128.3 -35.03 2.02 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.277 1.039 . . . . 0.0 112.554 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -86.51 139.28 31.02 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -157.09 147.12 20.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.3 mt -102.27 144.56 30.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -118.29 169.74 9.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.709 0.804 . . . . 0.0 110.739 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.58 173.79 34.59 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -93.87 135.01 35.64 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -26.5 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-O 120.556 0.217 . . . . 0.0 110.45 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -79.94 -11.86 59.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.358 0.663 . . . . 0.0 110.563 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -99.56 11.37 39.34 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.165 0.986 . . . . 0.0 110.208 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 59.41 25.37 14.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.198 0.999 . . . . 0.0 112.912 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.04 141.9 37.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -125.67 9.69 7.71 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.06 0.544 . . . . 0.0 111.104 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -46.52 132.65 10.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.81 0.844 . . . . 0.0 111.612 -172.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.2 tp -116.38 148.26 40.81 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.88 0.872 . . . . 0.0 109.052 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.7 t -138.05 136.36 36.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.6 124.81 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -101.97 142.18 33.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.235 0.614 . . . . 0.0 109.686 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 45.2 58.19 4.27 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.72 148.75 15.69 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -171.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -136.28 166.24 23.9 Favored 'General case' 0 N--CA 1.46 0.039 0 C-N-CA 123.683 0.793 . . . . 0.0 109.558 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -61.18 -16.36 43.9 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -72.65 -18.41 61.57 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.02 0.528 . . . . 0.0 111.979 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.39 -15.01 56.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.724 0.41 . . . . 0.0 111.809 -176.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.533 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.24 131.52 45.93 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.54 -149.69 21.59 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.3 m -141.08 153.96 45.71 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.246 0.619 . . . . 0.0 110.227 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -147.31 166.81 25.99 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -142.37 158.85 43.25 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.165 0.586 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 31.8 t80 -94.68 154.52 17.28 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -133.77 132.7 40.82 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.56 0.344 . . . . 0.0 110.26 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.8 tp -103.95 145.8 29.6 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.457 1.103 . . . . 0.0 110.307 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -151.61 119.81 6.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -152.93 131.86 12.51 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.677 0.791 . . . . 0.0 109.449 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.18 -138.51 48.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -175.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.1 p -84.51 -8.29 58.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.047 0.423 . . . . 0.0 110.747 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.423 ' HE3' ' CD2' ' A' ' 35' ' ' TYR . 40.2 ttp -88.12 142.03 28.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.869 0.867 . . . . 0.0 111.539 -176.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -153.47 151.78 30.23 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.288 0.635 . . . . 0.0 109.625 170.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.445 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.2 t-105 -153.66 154.9 35.03 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -173.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.9 t -120.31 127.36 52.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.835 0.454 . . . . 0.0 110.024 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.274 79.2 m-85 -83.09 62.64 6.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -176.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -138.59 162.1 35.44 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.16 0.584 . . . . 0.0 109.653 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 178.396 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.0 t80 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -146.04 151.0 37.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.945 0.402 . . . . 0.0 110.903 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.9 t -163.01 156.7 20.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.543 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -73.0 169.75 16.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.096 0.474 . . . . 0.0 110.939 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -137.67 165.29 26.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.99 0.916 . . . . 0.0 110.544 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.48 124.29 45.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.7 t -102.91 143.01 33.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 54.3 t -128.21 140.64 48.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 C-N-CA 122.833 0.453 . . . . 0.0 109.959 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.533 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.3 m-85 -128.39 146.7 50.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.79 143.36 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.212 0.605 . . . . 0.0 111.49 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -132.5 140.15 48.23 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.19 141.59 58.72 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.454 -0.247 0 C-N-CA 122.893 0.477 . . . . 0.0 109.714 -178.43 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 CA-C-O 119.448 -0.64 . . . . 0.0 113.566 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.61 152.5 45.28 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.659 1.229 . . . . 0.0 108.428 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.92 -15.9 13.9 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.313 -0.715 . . . . 0.0 113.412 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.89 121.12 28.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.459 1.13 . . . . 0.0 110.562 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 mt -138.88 151.89 47.34 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.138 0.575 . . . . 0.0 110.325 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -148.46 148.62 30.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.782 0.433 . . . . 0.0 110.042 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -130.84 126.44 36.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.497 ' H ' ' HE3' ' A' ' 128' ' ' LYS . 11.0 p -157.58 157.63 3.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 123.597 0.759 . . . . 0.0 110.846 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.61 119.66 12.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -68.35 -20.68 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.22 124.64 7.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.984 0.357 . . . . 0.0 110.282 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.16 147.2 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.462 1.105 . . . . 0.0 108.408 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.23 139.79 39.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -154.74 155.49 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 122.865 0.466 . . . . 0.0 111.38 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -84.96 158.7 20.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.026 -0.422 . . . . 0.0 110.104 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.27 143.33 48.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.28 0.232 . . . . 0.0 111.072 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.67 5.48 66.66 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.066 -0.852 . . . . 0.0 114.924 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.12 173.93 11.49 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.81 1.305 . . . . 0.0 111.302 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -91.98 167.12 12.33 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -170.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.61 155.96 5.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.345 1.058 . . . . 0.0 109.232 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -120.5 140.87 50.8 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.741 0.816 . . . . 0.0 110.296 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.41 88.34 30.09 Favored Pre-proline 0 C--N 1.333 -0.139 0 C-N-CA 123.898 0.879 . . . . 0.0 110.915 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.76 141.89 50.88 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.119 2.546 . . . . 0.0 111.285 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.8 p -162.95 166.95 23.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 111.206 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.2 p -154.03 169.62 23.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.009 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -138.01 168.88 18.8 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -147.38 149.56 33.0 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.475 0.71 . . . . 0.0 110.226 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -153.28 156.53 32.59 Favored Pre-proline 0 CA--C 1.53 0.195 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -174.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.66 154.44 74.41 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.274 2.649 . . . . 0.0 109.922 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.46 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -79.16 -0.67 32.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.784 0.434 . . . . 0.0 112.022 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.25 129.9 40.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.52 4.54 70.38 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.23 -0.761 . . . . 0.0 114.271 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -151.14 165.86 32.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.626 1.213 . . . . 0.0 112.782 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.21 166.96 19.99 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -62.46 -13.83 34.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -92.43 -12.3 32.51 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.003 0.521 . . . . 0.0 111.617 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.07 156.17 91.04 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.65 173.07 14.99 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 124.012 3.142 . . . . 0.0 110.697 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.14 143.0 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 123.021 0.528 . . . . 0.0 110.943 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -149.61 163.88 36.67 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.776 0.83 . . . . 0.0 110.822 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.52 156.78 26.4 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -151.44 174.42 13.39 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -138.96 147.82 42.71 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.158 0.983 . . . . 0.0 112.141 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -142.84 150.77 40.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -76.53 136.35 39.3 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 O-C-N 122.077 -0.389 . . . . 0.0 110.661 -176.613 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.41 159.36 43.42 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 123.439 2.759 . . . . 0.0 110.387 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.54 -15.62 10.92 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.17 18.34 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.009 0.924 . . . . 0.0 109.412 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -161.45 162.62 30.59 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.678 0.275 . . . . 0.0 111.215 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -112.95 -1.54 14.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.376 0.67 . . . . 0.0 110.729 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.198 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.671 0.272 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.97 169.34 16.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 123.756 0.823 . . . . 0.0 111.242 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -58.6 147.29 32.95 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.143 0.577 . . . . 0.0 111.519 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.7 63.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -87.41 -9.19 55.39 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.054 0.388 . . . . 0.0 111.091 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.419 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.81 -6.54 11.04 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.6 135.01 57.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 110.933 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 4.16 69.71 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.171 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -129.67 -39.43 1.45 Allowed 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.631 1.215 . . . . 0.0 112.688 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -80.05 138.14 36.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -156.73 153.24 28.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.406 0.282 . . . . 0.0 110.54 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.4 mt -108.4 144.27 36.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.656 0.382 . . . . 0.0 110.236 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.3 mt -119.1 170.64 8.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.17 0.988 . . . . 0.0 110.557 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.99 171.67 38.04 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.65 128.21 34.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.8 pt -71.32 -21.23 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -85.06 2.01 45.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.056 0.542 . . . . 0.0 111.213 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -119.49 15.6 12.91 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.028 0.931 . . . . 0.0 110.056 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 59.26 26.88 15.78 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.417 1.087 . . . . 0.0 113.587 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.25 140.36 38.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.6 p -127.41 8.63 6.53 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.104 0.562 . . . . 0.0 111.615 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.0 m -44.48 114.01 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.271 1.028 . . . . 0.0 111.665 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.1 tp -90.69 145.12 25.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -135.13 135.59 41.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 172.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.28 125.08 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -102.49 142.05 34.32 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 45.08 58.53 4.01 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.9 149.81 14.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -134.79 165.7 24.68 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 124.055 0.942 . . . . 0.0 109.302 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.19 -16.99 50.71 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -73.37 -16.88 61.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.565 0.746 . . . . 0.0 112.006 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -84.15 -12.14 55.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.023 0.529 . . . . 0.0 112.214 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.78 133.7 49.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.83 -151.91 23.83 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.5 m -139.78 152.92 46.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.209 0.603 . . . . 0.0 110.138 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -147.36 166.89 25.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -143.91 158.39 43.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.26 21.3 t80 -91.05 154.36 19.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -135.0 144.96 47.66 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 122.626 0.37 . . . . 0.0 110.058 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.9 tp -122.37 144.56 48.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -133.76 125.33 28.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -152.61 114.02 4.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.51 -137.65 45.11 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 m -79.95 -4.71 53.6 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.753 0.277 . . . . 0.0 111.71 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 61.2 ttp -91.97 144.94 24.94 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.367 0.667 . . . . 0.0 111.621 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 148.71 39.1 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 173.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -156.24 155.75 32.9 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-O 120.431 0.158 . . . . 0.0 110.975 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.3 p -128.17 130.35 47.91 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.227 0.611 . . . . 0.0 110.223 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.276 79.6 m-85 -83.16 56.8 3.65 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -129.88 152.08 49.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.022 0.529 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.456 -0.135 0 C-N-CA 122.876 0.47 . . . . 0.0 111.646 -177.575 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.9 t80 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -145.47 137.84 25.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.917 0.326 . . . . 0.0 111.478 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.1 t -161.51 154.08 20.27 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.717 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.497 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 62.8 pttt -80.8 169.36 17.69 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.128 0.49 . . . . 0.0 110.711 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -133.99 168.75 18.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.594 0.758 . . . . 0.0 111.293 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.54 134.32 43.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.76 0.824 . . . . 0.0 109.033 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.63 143.03 45.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.9 t -127.89 139.21 52.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.558 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.2 m-85 -127.78 146.01 50.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.13 143.51 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.006 0.522 . . . . 0.0 111.177 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -133.15 143.41 49.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.79 140.36 56.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.975 0.417 . . . . 0.0 110.119 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 -176.51 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.877 0 CA-C-O 119.693 -0.504 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -66.45 151.89 46.27 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.656 1.228 . . . . 0.0 108.793 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.65 13.86 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.741 0.686 . . . . 0.0 112.836 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -84.54 120.76 26.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.235 1.017 . . . . 0.0 112.837 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.6 mt -140.03 152.36 46.18 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.595 0.358 . . . . 0.0 110.29 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.75 146.75 28.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -130.06 126.5 37.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.958 0.503 . . . . 0.0 109.695 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -156.98 156.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.586 0.754 . . . . 0.0 110.507 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.76 117.43 7.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -67.54 -19.33 65.28 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 tp -153.53 125.23 7.7 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.116 0.416 . . . . 0.0 109.895 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -120.73 147.58 24.45 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 124.483 1.113 . . . . 0.0 108.258 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.23 140.56 41.76 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -155.57 154.03 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 122.561 0.344 . . . . 0.0 111.683 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -84.93 157.88 20.71 Favored 'General case' 0 CA--C 1.529 0.143 0 O-C-N 121.838 -0.539 . . . . 0.0 109.7 174.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -71.33 142.4 50.43 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.063 -0.398 . . . . 0.0 110.648 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.59 5.94 64.5 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.982 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.92 171.38 14.52 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.011 1.405 . . . . 0.0 111.577 176.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -91.74 163.66 14.0 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.25 151.01 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.35 1.06 . . . . 0.0 109.075 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -114.23 143.41 44.89 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.409 0.684 . . . . 0.0 110.345 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.5 87.89 25.83 Favored Pre-proline 0 N--CA 1.455 -0.19 0 C-N-CA 123.961 0.904 . . . . 0.0 110.998 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.3 143.16 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.143 2.562 . . . . 0.0 111.273 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.3 p -162.46 166.04 25.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.773 0.321 . . . . 0.0 111.198 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -153.01 169.17 23.55 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.047 0.539 . . . . 0.0 111.196 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -140.54 171.66 13.8 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.09 148.04 31.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.539 0.736 . . . . 0.0 110.336 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -154.54 155.27 30.48 Favored Pre-proline 0 N--CA 1.456 -0.163 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -174.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.07 157.71 60.6 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.252 2.635 . . . . 0.0 110.074 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.0 tt0 -80.29 -0.03 34.84 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.965 0.506 . . . . 0.0 112.197 -177.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.97 129.05 38.74 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -177.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.85 4.51 72.35 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.394 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.2 p-90 -152.14 166.9 30.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.887 1.343 . . . . 0.0 111.898 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.17 165.69 22.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.1 -13.38 26.15 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 t -95.11 -13.35 25.17 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.619 0.368 . . . . 0.0 111.614 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.86 146.23 87.58 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -71.55 160.71 47.6 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.903 3.069 . . . . 0.0 109.861 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.5 145.47 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 122.779 0.432 . . . . 0.0 110.107 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -148.19 166.09 28.94 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.4 1.08 . . . . 0.0 110.302 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.43 157.65 27.26 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -151.03 170.75 18.62 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -174.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -135.33 147.77 49.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.59 1.156 . . . . 0.0 111.563 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -142.86 154.28 43.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.016 0.527 . . . . 0.0 110.783 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.49 146.58 36.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.37 0.129 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.36 155.98 55.16 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.156 2.57 . . . . 0.0 109.938 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -83.83 -16.41 10.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 176.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 153.0 18.25 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.005 0.922 . . . . 0.0 109.573 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.54 165.06 29.08 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 122.739 0.415 . . . . 0.0 111.38 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -116.11 0.36 12.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.525 0.73 . . . . 0.0 110.785 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 . . . . . 0 N--CA 1.449 -0.516 0 C-N-CA 123.399 0.679 . . . . 0.0 109.25 177.206 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.15 171.75 16.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.729 0.812 . . . . 0.0 111.687 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -58.61 147.3 32.98 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 123.102 0.561 . . . . 0.0 111.232 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.19 63.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.397 0.279 . . . . 0.0 111.646 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -87.74 -7.26 57.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.934 0.334 . . . . 0.0 111.511 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -119.12 -7.77 10.28 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.22 134.47 57.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.924 0.393 . . . . 0.0 110.737 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.22 70.43 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.071 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -129.22 -35.87 1.76 Allowed 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.364 1.082 . . . . 0.0 112.589 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.96 136.56 32.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -157.28 152.96 26.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.625 0.25 . . . . 0.0 110.552 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.7 mt -102.59 144.73 30.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.7 mt -117.81 169.27 9.74 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.902 0.881 . . . . 0.0 110.26 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.27 177.18 42.97 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -94.89 136.34 35.32 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -29.08 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -79.29 -13.02 59.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.353 0.661 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -95.42 9.41 40.1 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.366 0.667 . . . . 0.0 109.752 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 59.09 27.69 16.74 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.255 1.022 . . . . 0.0 112.869 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -79.95 143.22 34.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.7 p -127.71 8.45 6.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.525 0.73 . . . . 0.0 111.141 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -44.6 122.06 2.95 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.112 0.965 . . . . 0.0 111.648 -172.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.0 tp -102.11 143.84 31.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -133.06 133.33 42.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.36 125.11 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -102.98 141.35 35.93 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 44.37 58.51 3.75 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.75 145.87 22.96 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -125.36 163.07 23.39 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -64.55 -9.82 21.72 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -78.5 -17.51 56.14 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.139 0.576 . . . . 0.0 111.984 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.01 -13.88 59.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.533 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -66.03 133.38 50.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.934 0.494 . . . . 0.0 109.863 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.43 -150.26 22.34 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.2 m -140.9 153.77 45.84 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 122.94 0.496 . . . . 0.0 110.079 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -147.09 165.39 30.07 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -173.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -138.84 156.72 47.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.207 0.603 . . . . 0.0 110.293 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -92.52 154.47 18.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -131.82 136.41 47.48 Favored 'General case' 0 C--N 1.338 0.068 0 C-N-CA 123.02 0.528 . . . . 0.0 110.41 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.15 143.42 40.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.053 0.941 . . . . 0.0 110.361 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -147.8 119.88 8.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.131 0.572 . . . . 0.0 109.87 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -153.67 129.86 10.43 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -139.61 47.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 t -81.71 -11.1 59.19 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.611 -0.346 . . . . 0.0 110.768 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -85.5 139.26 31.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.309 0.644 . . . . 0.0 111.845 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -143.66 142.39 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.382 1.473 . . . . 0.0 108.722 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -152.26 154.92 36.68 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.552 0.215 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.4 t -127.22 131.9 50.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.205 0.602 . . . . 0.0 109.898 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 80.9 m-85 -84.29 63.58 7.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -141.96 163.63 32.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.824 0.85 . . . . 0.0 109.772 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.901 0.381 . . . . 0.0 111.155 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.02 152.95 40.18 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 120.912 0.387 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.0 t -162.82 162.5 26.55 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.06 0.544 . . . . 0.0 110.834 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -76.52 170.74 15.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.598 0.359 . . . . 0.0 111.081 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -138.12 165.17 27.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.983 0.913 . . . . 0.0 110.059 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 tp -100.58 123.0 44.2 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.6 t -102.54 142.02 34.41 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.48 138.3 55.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.974 0.509 . . . . 0.0 109.798 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.533 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.0 m-85 -126.94 144.81 50.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.9 t -136.81 143.38 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -131.86 142.73 49.78 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.38 140.74 58.55 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.626 0.25 . . . . 0.0 110.661 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 CA-C-O 119.774 -0.459 . . . . 0.0 113.39 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -66.84 152.26 45.94 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.721 1.261 . . . . 0.0 109.162 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.35 -16.22 14.47 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 123.851 0.739 . . . . 0.0 112.644 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.54 119.44 24.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.211 1.006 . . . . 0.0 112.231 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -136.75 159.12 42.8 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.542 0.337 . . . . 0.0 110.549 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -144.98 143.77 30.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.328 0.651 . . . . 0.0 109.68 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -130.33 113.6 14.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.74 155.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.276 0.63 . . . . 0.0 110.481 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.52 118.67 10.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.78 -18.53 64.21 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -153.84 124.4 7.12 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.396 0.544 . . . . 0.0 110.385 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.26 149.56 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.461 1.104 . . . . 0.0 108.373 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.81 139.51 38.23 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.58 156.03 5.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.079 0 C-N-CA 122.911 0.485 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -89.48 157.51 18.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.011 -0.431 . . . . 0.0 110.15 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.68 143.81 53.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.274 -0.267 . . . . 0.0 110.805 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.26 5.78 67.15 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.842 -0.977 . . . . 0.0 114.763 174.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.12 172.97 12.95 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.389 1.595 . . . . 0.0 111.748 177.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -91.69 167.61 12.07 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -155.38 156.81 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.807 1.243 . . . . 0.0 109.063 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -121.43 140.74 51.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.667 0.787 . . . . 0.0 109.961 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.29 90.18 25.85 Favored Pre-proline 0 N--CA 1.457 -0.114 0 C-N-CA 124.051 0.94 . . . . 0.0 110.843 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.01 144.1 46.49 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.259 2.64 . . . . 0.0 111.177 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.3 p -162.16 168.49 22.43 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.423 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.5 t -151.96 168.36 25.45 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.85 0.86 . . . . 0.0 110.689 -177.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -140.3 168.43 19.83 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -147.71 150.03 33.54 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.89 0.476 . . . . 0.0 109.935 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.9 155.98 33.98 Favored Pre-proline 0 CA--C 1.53 0.198 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -173.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.14 156.79 64.47 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.218 2.612 . . . . 0.0 109.819 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -78.7 -1.2 33.34 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 112.102 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.12 127.91 34.77 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.44 4.84 67.76 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.15 -0.806 . . . . 0.0 114.58 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 65.9 p-90 -151.75 167.29 28.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 118.961 1.38 . . . . 0.0 112.358 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.39 164.47 22.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -60.42 -27.67 67.66 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -176.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -89.59 -3.44 58.29 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.3 149.35 91.53 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.38 160.44 49.53 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.809 3.006 . . . . 0.0 109.916 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.91 148.93 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.627 0.371 . . . . 0.0 110.158 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -148.97 164.05 35.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.653 1.181 . . . . 0.0 110.161 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.02 155.23 26.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -150.03 173.0 14.34 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -174.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -138.73 146.53 41.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.66 1.184 . . . . 0.0 111.266 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.01 151.46 40.86 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -74.19 144.81 44.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.389 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.68 155.26 58.99 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.715 2.277 . . . . 0.0 110.451 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -80.52 -17.2 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 122.233 -0.292 . . . . 0.0 111.264 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.91 150.28 11.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.365 1.066 . . . . 0.0 109.019 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 t -160.2 155.79 25.53 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -94.01 -13.18 27.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.695 0.798 . . . . 0.0 110.924 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.209 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 CA--C 1.529 0.157 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.08 169.44 21.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.634 0.774 . . . . 0.0 111.48 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -58.41 145.34 38.82 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.836 0.454 . . . . 0.0 110.985 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.35 64.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -88.31 -9.49 52.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.286 0.494 . . . . 0.0 111.666 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.455 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -112.84 -7.97 13.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.1 131.55 51.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.923 0.392 . . . . 0.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.49 2.41 74.5 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.357 -0.69 . . . . 0.0 112.843 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -127.26 -33.9 2.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.381 1.091 . . . . 0.0 112.578 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.0 m-85 -88.24 140.22 29.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 175.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -156.77 146.43 20.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.7 mt -99.47 144.28 28.74 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 mt -116.16 171.2 7.96 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.658 0.783 . . . . 0.0 110.146 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.38 -156.55 51.27 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.252 6.7 p30 -137.2 144.41 42.84 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -24.66 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.632 0.773 . . . . 0.0 111.347 -177.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -81.29 6.66 13.51 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.218 0.607 . . . . 0.0 112.067 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.2 t -129.23 16.16 6.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.081 0.953 . . . . 0.0 109.546 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 59.49 20.5 8.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.716 1.206 . . . . 0.0 113.806 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -79.73 139.09 37.44 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.0 p -122.95 10.76 9.52 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.806 0.443 . . . . 0.0 111.843 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.8 m -44.56 133.99 5.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.768 0.827 . . . . 0.0 111.959 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.8 tp -119.87 148.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.99 0.916 . . . . 0.0 108.981 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.4 t -138.44 136.82 36.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 175.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.18 124.83 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -101.43 140.84 35.16 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.323 0.649 . . . . 0.0 109.42 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 46.1 55.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.68 150.5 12.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -141.95 168.42 19.78 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.806 0.842 . . . . 0.0 109.853 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.12 -16.45 32.29 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -73.52 -17.2 61.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.105 0.412 . . . . 0.0 111.928 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -83.92 -13.53 53.26 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.765 0.426 . . . . 0.0 111.739 -177.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -66.73 133.76 50.82 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.78 -149.93 22.01 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.6 m -139.17 152.85 47.74 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.134 0.574 . . . . 0.0 110.427 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -146.33 165.9 27.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -174.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -140.28 157.43 45.59 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.984 0.514 . . . . 0.0 111.729 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -87.93 154.6 20.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -132.09 133.5 44.4 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-O 120.694 0.283 . . . . 0.0 110.677 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.6 tp -105.46 143.55 33.47 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.303 1.041 . . . . 0.0 110.293 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -150.37 121.1 7.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 172.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -154.31 133.24 12.35 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 123.561 0.744 . . . . 0.0 109.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.8 -138.08 47.67 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -177.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.7 t -85.45 -1.8 57.44 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.735 0.414 . . . . 0.0 111.103 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.4 ttp -91.08 126.64 36.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.332 0.653 . . . . 0.0 112.173 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 143.58 50.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.419 1.088 . . . . 0.0 108.859 172.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -157.3 153.11 26.9 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.871 0.305 . . . . 0.0 110.728 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.6 p -129.67 140.36 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.205 0.602 . . . . 0.0 109.692 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.291 79.5 m-85 -88.63 65.45 7.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -141.92 159.72 41.65 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 122.992 0.517 . . . . 0.0 111.85 -177.847 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -146.42 154.01 41.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.2 t -163.9 151.39 12.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.612 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.79 169.63 16.34 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.992 0.425 . . . . 0.0 111.006 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -135.37 169.99 16.64 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.703 0.801 . . . . 0.0 111.032 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.41 124.91 46.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.0 t -103.07 143.23 32.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.71 141.65 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.3 m-85 -129.77 145.89 51.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.1 t -136.16 143.22 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.642 0.377 . . . . 0.0 111.856 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.3 144.81 49.92 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.22 141.96 57.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.436 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 122.546 0.338 . . . . 0.0 110.402 -177.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.897 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.874 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -61.0 146.32 47.51 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.364 1.082 . . . . 0.0 112.134 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 -15.49 16.16 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.098 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -82.97 115.68 21.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.632 1.216 . . . . 0.0 112.378 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -136.89 151.02 48.61 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 148.22 29.96 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.997 0.519 . . . . 0.0 109.824 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -130.75 127.84 39.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -157.59 156.29 4.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.716 0.806 . . . . 0.0 110.571 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.93 118.89 10.38 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 175.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.96 -17.26 62.67 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.3 tp -153.0 123.98 7.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 118.077 0.399 . . . . 0.0 110.119 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 t -119.78 148.42 22.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.504 1.121 . . . . 0.0 108.447 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.6 141.68 41.28 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.16 155.42 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.723 0.409 . . . . 0.0 111.261 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -87.48 157.99 19.06 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.88 -0.513 . . . . 0.0 109.813 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.57 142.08 50.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.173 -0.329 . . . . 0.0 111.578 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 6.62 67.66 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.823 -0.987 . . . . 0.0 114.364 175.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.07 172.29 13.28 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 175.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -92.18 167.07 12.3 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -170.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.43 156.53 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.406 1.082 . . . . 0.0 109.348 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -122.05 139.97 53.07 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.557 0.743 . . . . 0.0 109.725 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -132.41 89.76 35.68 Favored Pre-proline 0 C--O 1.232 0.178 0 C-N-CA 124.37 1.068 . . . . 0.0 110.917 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.76 140.48 42.8 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 123.081 2.521 . . . . 0.0 111.197 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.6 p -161.93 166.2 26.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.226 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -154.62 170.23 22.0 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 122.769 0.428 . . . . 0.0 110.958 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -138.9 169.66 17.39 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -147.02 149.93 34.1 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.687 0.795 . . . . 0.0 110.084 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.412 ' CD2' ' HE3' ' A' ' 115' ' ' MET . 12.0 p90 -152.07 157.4 34.13 Favored Pre-proline 0 N--CA 1.454 -0.239 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -173.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.33 159.32 53.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.292 2.661 . . . . 0.0 110.275 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.472 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.4 tt0 -80.14 -2.21 43.64 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -70.42 132.32 45.42 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.75 77.36 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.153 -0.804 . . . . 0.0 114.057 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.05 167.55 25.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.965 1.382 . . . . 0.0 112.302 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.88 167.2 19.35 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.11 -11.91 16.64 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.3 m -101.35 -6.02 24.63 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -77.36 146.14 73.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -71.25 160.06 50.03 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.869 3.046 . . . . 0.0 109.893 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.44 141.03 22.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -149.08 170.58 18.07 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.242 1.017 . . . . 0.0 110.461 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.56 160.07 28.03 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -149.43 171.61 16.29 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -174.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -135.77 149.89 49.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.288 1.035 . . . . 0.0 111.809 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -145.61 149.47 34.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -75.28 137.23 41.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 110.374 -176.721 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -72.99 152.55 51.71 Favored 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 123.071 2.514 . . . . 0.0 110.302 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -81.44 -16.4 12.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.33 153.2 17.46 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.63 0.772 . . . . 0.0 109.46 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.0 t -161.14 162.12 31.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.677 0.275 . . . . 0.0 111.681 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -108.91 0.29 20.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.654 0.782 . . . . 0.0 110.78 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.257 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.855 0.36 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -124.57 176.33 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.586 0.754 . . . . 0.0 111.901 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -58.49 143.5 45.51 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 122.665 0.386 . . . . 0.0 110.954 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -20.94 66.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -83.3 -6.36 59.44 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.212 -0.305 . . . . 0.0 111.464 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p -126.39 -2.36 6.86 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -59.88 131.51 51.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.26 58.93 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.366 -0.686 . . . . 0.0 113.325 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.9 mtm105 -119.61 -36.21 3.38 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.692 1.246 . . . . 0.0 111.256 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -88.25 139.4 30.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 174.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -157.26 152.51 26.19 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.307 0.243 . . . . 0.0 110.574 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.8 mt -106.93 145.18 32.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.792 0.329 . . . . 0.0 110.475 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -118.01 168.65 10.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.104 0.961 . . . . 0.0 110.361 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.85 173.81 45.91 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.99 139.45 30.6 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -28.06 37.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.875 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -82.97 -11.76 57.87 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 122.703 0.401 . . . . 0.0 111.095 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -93.56 7.53 44.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.514 0.725 . . . . 0.0 110.131 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 58.03 28.46 16.31 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.813 0.845 . . . . 0.0 112.503 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -78.74 142.61 36.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.2 p -128.28 8.65 6.06 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 111.255 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -44.94 115.66 0.93 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.128 0.971 . . . . 0.0 111.796 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.8 tp -93.08 146.11 23.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.1 t -135.46 134.05 39.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 172.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -107.44 125.2 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -103.18 140.35 37.47 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 46.27 58.73 4.27 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 151.1 17.26 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -134.47 162.73 31.43 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 124.016 0.926 . . . . 0.0 109.668 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -58.43 -22.65 55.01 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -72.9 -20.89 60.99 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.528 0.731 . . . . 0.0 111.819 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.31 -11.94 60.16 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.571 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.9 tttt -64.96 131.7 47.32 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.187 0.595 . . . . 0.0 109.563 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.08 -151.92 23.38 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -140.62 154.84 46.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.06 0.544 . . . . 0.0 110.477 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -147.35 166.17 27.95 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -173.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -141.9 158.78 43.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.316 0.646 . . . . 0.0 110.011 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 24.0 t80 -96.66 154.33 17.35 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -130.9 133.61 46.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.698 0.399 . . . . 0.0 110.79 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.1 tp -102.9 144.78 30.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.185 0.994 . . . . 0.0 110.6 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -151.36 120.25 6.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.824 0.45 . . . . 0.0 109.871 173.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -153.61 130.65 11.04 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 123.91 0.884 . . . . 0.0 108.978 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.16 -138.29 45.71 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -176.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.2 m -84.84 -1.52 56.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.071 0.436 . . . . 0.0 111.801 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.412 ' HE3' ' CD2' ' A' ' 35' ' ' TYR . 44.3 ttp -91.84 135.27 34.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.573 0.749 . . . . 0.0 111.164 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -142.13 145.7 34.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.867 1.267 . . . . 0.0 109.451 177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.403 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.7 t-105 -157.05 156.91 33.66 Favored 'General case' 0 C--O 1.23 0.042 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.0 t -128.57 132.96 48.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.452 0.701 . . . . 0.0 110.141 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.297 79.5 m-85 -86.39 67.63 9.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -173.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -144.71 163.67 33.3 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.301 0.64 . . . . 0.0 109.689 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--N 1.331 -0.238 0 C-N-CA 122.594 0.358 . . . . 0.0 111.367 -179.748 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.26 12.6 t80 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.19 143.17 29.09 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.6 0.238 . . . . 0.0 110.534 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -158.32 158.61 34.69 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.959 0.504 . . . . 0.0 110.32 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.486 ' HB3' ' HZ1' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -76.68 169.19 18.74 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 121.055 0.455 . . . . 0.0 111.191 -178.603 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -137.31 165.51 26.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.935 0.894 . . . . 0.0 110.431 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.54 126.98 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.8 t -105.91 143.06 34.59 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.28 139.02 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.571 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.2 m-85 -127.78 146.92 50.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.29 143.46 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.316 0.646 . . . . 0.0 111.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.87 145.61 48.44 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.81 141.0 58.93 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 110.962 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.904 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.834 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.3 146.72 38.53 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.97 -15.84 19.1 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 123.615 0.626 . . . . 0.0 112.906 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.6 119.08 24.79 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.2 1.0 . . . . 0.0 112.989 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -138.88 150.81 46.39 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.609 0.364 . . . . 0.0 110.758 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.22 146.92 28.88 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.836 0.454 . . . . 0.0 110.354 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -127.69 128.98 46.37 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.271 0.628 . . . . 0.0 109.548 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -160.29 156.79 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.516 0.726 . . . . 0.0 110.773 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.32 120.22 12.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -67.97 -20.91 65.08 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -174.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -153.85 123.67 6.78 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 118.043 0.383 . . . . 0.0 110.343 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 t -118.77 147.88 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 124.456 1.102 . . . . 0.0 108.282 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.66 140.68 40.97 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -154.59 154.31 7.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.738 0.415 . . . . 0.0 111.455 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -85.85 157.95 20.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.988 -0.445 . . . . 0.0 109.901 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.69 141.26 49.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.249 -0.282 . . . . 0.0 111.034 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.77 6.65 63.58 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.021 -0.877 . . . . 0.0 114.968 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.98 175.71 10.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.858 1.329 . . . . 0.0 111.707 176.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -91.53 168.43 11.52 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -169.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.6 154.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.653 1.181 . . . . 0.0 109.26 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -119.39 139.63 51.69 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.693 0.797 . . . . 0.0 110.018 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -134.17 90.54 25.45 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.173 0.989 . . . . 0.0 111.561 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -65.13 147.55 88.53 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.464 2.776 . . . . 0.0 111.478 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.8 t -157.39 150.73 23.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.563 0.745 . . . . 0.0 110.802 -175.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -151.95 162.81 40.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.385 0.674 . . . . 0.0 111.013 176.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -140.97 170.31 15.98 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -147.19 145.95 29.67 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.818 0.847 . . . . 0.0 109.865 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -153.44 155.57 31.74 Favored Pre-proline 0 C--O 1.232 0.177 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.37 157.79 60.1 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.38 2.72 . . . . 0.0 110.479 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.3 tt0 -79.16 -1.25 35.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.995 0.518 . . . . 0.0 112.13 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.07 130.13 42.19 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.49 4.63 80.03 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.164 -0.798 . . . . 0.0 114.508 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.0 p-90 -150.86 164.77 35.47 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.045 1.422 . . . . 0.0 112.835 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 168.29 17.02 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.63 -12.08 30.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -97.42 -11.87 23.39 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.01 0.524 . . . . 0.0 111.519 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.19 147.91 93.63 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.55 163.12 39.48 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.802 3.001 . . . . 0.0 110.385 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.53 142.63 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -147.75 161.34 41.43 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.932 0.893 . . . . 0.0 110.261 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.43 156.86 27.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -151.72 170.98 18.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -175.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -135.38 145.85 47.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.606 1.162 . . . . 0.0 111.197 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -141.29 150.87 43.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -76.09 136.91 39.87 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.975 -175.06 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.417 0.151 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.83 156.62 62.71 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.685 2.923 . . . . 0.0 110.169 173.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -85.64 -15.78 10.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.46 144.93 9.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.495 0.718 . . . . 0.0 110.316 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -168.91 165.13 11.65 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.469 0.708 . . . . 0.0 110.789 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.26 -5.14 11.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.409 0.684 . . . . 0.0 112.054 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.11 171.87 2.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -58.63 146.85 34.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.487 0.715 . . . . 0.0 111.709 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.8 64.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -85.93 -11.21 53.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.107 0.412 . . . . 0.0 111.141 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.453 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -113.66 -1.7 13.96 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -60.47 131.5 50.95 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.53 1.62 52.97 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 118.739 -1.034 . . . . 0.0 113.504 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -120.65 -35.83 3.3 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.932 1.366 . . . . 0.0 112.315 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.453 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -83.82 140.25 32.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -156.74 146.49 20.82 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.5 mt -99.35 141.76 31.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.9 mt -113.45 -9.57 13.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.666 0.386 . . . . 0.0 111.387 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.06 143.07 22.82 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.08 127.03 31.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -24.85 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.556 0.343 . . . . 0.0 111.248 -177.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -89.93 6.06 43.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.157 0.583 . . . . 0.0 111.729 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -123.77 14.77 9.37 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.737 0.815 . . . . 0.0 110.687 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 57.53 24.23 10.11 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.121 0.969 . . . . 0.0 112.995 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -89.8 152.5 21.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.419 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 1.8 p -135.0 16.7 3.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.725 0.81 . . . . 0.0 111.921 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -52.16 134.76 32.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.756 0.422 . . . . 0.0 111.335 -175.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -119.36 151.56 38.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.319 1.048 . . . . 0.0 109.082 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.6 t -141.85 141.67 33.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.93 124.71 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -102.27 142.15 33.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 46.33 57.38 5.4 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.55 149.8 13.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -139.3 166.63 24.04 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.759 0.824 . . . . 0.0 109.874 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.61 -13.26 20.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -75.75 -16.48 60.12 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.907 0.483 . . . . 0.0 111.748 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -84.47 -14.76 48.28 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.6 0.36 . . . . 0.0 111.486 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.563 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -67.28 133.33 49.48 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.59 -149.44 21.38 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.9 m -141.26 153.59 45.31 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 123.061 0.545 . . . . 0.0 110.295 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -147.54 164.91 31.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -141.61 156.75 45.66 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.178 0.591 . . . . 0.0 109.647 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -92.05 154.57 18.67 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -130.72 130.26 43.58 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.534 0.333 . . . . 0.0 110.161 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.7 tp -100.64 144.8 29.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.772 0.829 . . . . 0.0 110.472 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -148.1 118.77 7.5 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.73 0.412 . . . . 0.0 110.066 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -153.84 131.95 11.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.351 0.66 . . . . 0.0 109.348 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.15 -140.78 47.7 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.5 p -83.82 -6.13 59.36 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.243 -0.563 . . . . 0.0 110.85 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -89.53 139.72 30.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.243 0.617 . . . . 0.0 112.14 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -143.56 142.13 30.97 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.251 1.42 . . . . 0.0 108.786 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -152.57 149.54 28.59 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.0 m -120.17 133.22 55.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.113 0.565 . . . . 0.0 110.652 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.325 75.8 m-85 -83.53 62.74 6.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -174.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -141.53 156.73 45.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 CA--C 1.528 0.118 0 C-N-CA 122.798 0.439 . . . . 0.0 111.481 -177.032 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.287 39.0 t80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -145.67 134.03 21.85 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 123.145 0.578 . . . . 0.0 111.077 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.3 t -157.28 144.04 18.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.0 0.92 . . . . 0.0 109.199 172.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -70.42 167.16 18.84 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 121.384 0.611 . . . . 0.0 111.346 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.8 171.06 13.98 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.931 0.892 . . . . 0.0 111.062 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.5 129.31 46.44 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.554 0.742 . . . . 0.0 109.011 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 t -108.63 143.15 38.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 172.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 51.5 t -128.74 141.57 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.04 0.536 . . . . 0.0 109.723 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.563 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.5 m-85 -130.48 146.16 51.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.46 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.842 0.457 . . . . 0.0 111.324 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.4 142.36 48.32 Favored 'General case' 0 N--CA 1.458 -0.066 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.62 58.67 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.749 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 ttp . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.883 0.373 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -64.46 151.3 44.65 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.747 0.419 . . . . 0.0 110.769 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.0 1.85 35.5 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 119.832 -0.427 . . . . 0.0 112.404 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.4 t0 56.17 33.78 22.7 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.789 0.804 . . . . 0.0 112.408 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -155.1 167.65 29.64 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.449 0.7 . . . . 0.0 110.329 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -128.53 166.54 18.61 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.297 0.639 . . . . 0.0 109.4 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -56.75 126.06 25.17 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -171.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.435 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 92.2 0.77 70.34 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.416 -0.658 . . . . 0.0 113.358 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.88 149.5 31.34 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.36 -15.68 8.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.593 0.616 . . . . 0.0 112.853 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -82.68 114.79 21.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.254 1.027 . . . . 0.0 113.625 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 mt -136.15 151.12 49.43 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.71 0.404 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -148.29 148.23 30.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -130.36 126.37 36.95 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -156.87 156.98 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.636 . . . . 0.0 110.481 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.2 116.8 7.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -69.89 -16.43 63.23 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -173.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -152.9 123.65 7.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.32 0.509 . . . . 0.0 110.038 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.39 148.59 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.483 1.113 . . . . 0.0 108.238 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.43 140.48 41.31 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.16 155.17 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.056 0 C-N-CA 122.775 0.43 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -87.45 157.22 19.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.122 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.68 140.29 51.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.389 0.276 . . . . 0.0 111.103 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.39 3.84 64.66 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 119.013 -0.882 . . . . 0.0 114.469 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.52 174.6 10.8 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.202 1.501 . . . . 0.0 111.489 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -91.89 168.28 11.54 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -156.7 156.1 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 124.624 1.17 . . . . 0.0 108.961 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -120.53 141.98 49.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.326 0.65 . . . . 0.0 110.275 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -134.58 88.86 27.83 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 123.69 0.796 . . . . 0.0 111.044 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.23 143.23 43.37 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.857 2.372 . . . . 0.0 111.383 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 p -161.44 166.71 26.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.759 0.314 . . . . 0.0 111.658 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -153.84 166.43 32.94 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.284 0.634 . . . . 0.0 111.061 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -141.48 169.35 17.77 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.3 m -142.54 148.54 37.75 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.038 0.935 . . . . 0.0 109.872 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -152.19 155.98 33.56 Favored Pre-proline 0 N--CA 1.457 -0.112 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.78 157.45 61.17 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.025 2.484 . . . . 0.0 110.193 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.66 -1.32 41.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.198 0.599 . . . . 0.0 111.95 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.4 139.69 55.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 4.44 89.86 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.017 -0.879 . . . . 0.0 114.455 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.85 167.26 27.08 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.293 1.546 . . . . 0.0 112.228 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.56 166.51 21.24 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -62.65 -9.15 8.06 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.1 p -110.21 -3.07 16.5 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.763 0.425 . . . . 0.0 111.949 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.96 147.09 88.25 Favored Pre-proline 0 N--CA 1.453 -0.283 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.39 160.89 47.35 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.702 2.935 . . . . 0.0 110.203 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.24 146.09 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.72 0.408 . . . . 0.0 110.408 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -148.8 166.74 27.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.879 1.271 . . . . 0.0 110.088 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.97 159.49 27.41 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -151.77 169.36 22.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -134.63 146.35 49.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.741 1.216 . . . . 0.0 111.041 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' A' ' 57' ' ' PRO . 94.1 m-85 -143.27 154.65 44.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.68 0.392 . . . . 0.0 110.537 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -73.87 153.42 39.88 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.72 133.31 55.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.297 -0.877 . . . . 0.0 109.492 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.02 -0.27 88.76 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 123.15 0.405 . . . . 0.0 112.754 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -77.07 172.98 12.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -130.2 97.9 21.97 Favored Pre-proline 0 CA--C 1.531 0.248 0 C-N-CA 123.286 0.634 . . . . 0.0 109.797 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' HA ' ' CE1' ' A' ' 51' ' ' PHE . 74.7 Cg_exo -56.47 -18.0 23.75 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 124.771 3.647 . . . . 0.0 115.853 -171.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.308 13.7 p90 -106.09 5.02 29.8 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -134.25 -1.41 2.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.636 0.374 . . . . 0.0 111.258 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -141.83 159.91 41.27 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.12 147.81 80.44 Favored Pre-proline 0 N--CA 1.454 -0.253 0 O-C-N 122.291 -0.255 . . . . 0.0 110.467 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -71.72 158.34 53.52 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.724 2.949 . . . . 0.0 110.367 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.9 -16.83 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.38 150.91 14.78 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.991 0.916 . . . . 0.0 109.355 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.0 t -161.44 165.27 29.02 Favored 'General case' 0 C--O 1.228 -0.064 0 C-N-CA 122.679 0.392 . . . . 0.0 111.98 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -116.86 -2.33 11.84 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.39 0.676 . . . . 0.0 110.725 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -78.1 122.09 84.87 Favored Pre-proline 0 N--CA 1.451 -0.397 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.05 -17.01 36.53 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.983 2.455 . . . . 0.0 111.906 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -90.22 -11.6 40.5 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -105.47 135.95 45.92 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 122.888 0.475 . . . . 0.0 110.151 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -88.27 -178.75 5.99 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.077 0.551 . . . . 0.0 110.179 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.32 167.45 24.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.411 0.684 . . . . 0.0 111.985 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -58.94 146.44 37.83 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.071 0.548 . . . . 0.0 111.138 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.32 -20.89 64.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.226 -0.297 . . . . 0.0 111.614 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -86.28 -10.47 54.48 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.957 0.344 . . . . 0.0 111.038 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.448 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.4 p -117.19 -5.35 11.36 Favored 'General case' 0 C--N 1.342 0.255 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.35 129.97 44.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.555 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.91 3.66 69.01 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.018 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -125.13 -33.67 2.85 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.454 1.127 . . . . 0.0 112.44 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -91.63 141.22 28.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 174.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -157.25 149.6 22.92 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.11 0.164 . . . . 0.0 110.635 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.5 mt -101.78 144.63 30.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.6 mt -118.76 177.49 4.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.635 0.774 . . . . 0.0 110.206 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.08 -155.04 41.86 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -133.6 128.03 34.3 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -30.17 49.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.987 0.515 . . . . 0.0 111.402 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.12 -3.44 45.48 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.609 0.364 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -110.94 13.02 22.16 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.21 1.004 . . . . 0.0 109.709 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 60.73 23.72 13.6 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.837 1.255 . . . . 0.0 113.389 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -76.22 145.11 40.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.841 0.292 . . . . 0.0 111.635 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.8 p -126.88 10.79 7.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 123.217 0.607 . . . . 0.0 111.473 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -46.99 132.95 11.63 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.763 0.825 . . . . 0.0 111.823 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.3 tp -118.49 148.16 42.89 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.915 0.886 . . . . 0.0 108.848 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 136.76 36.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.749 0.309 . . . . 0.0 110.463 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.78 132.15 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -114.04 141.72 47.08 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.1 t0 49.03 58.95 4.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.43 148.5 27.9 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 111.731 -174.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -136.95 165.47 25.91 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.424 0.69 . . . . 0.0 109.649 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -61.45 -18.27 58.19 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -77.24 -14.61 59.73 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -78.98 -15.36 58.38 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.7 tttt -65.92 131.08 45.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.18 -150.58 22.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 m -139.81 153.06 47.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.075 0.55 . . . . 0.0 110.611 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -147.09 165.41 30.02 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.11 156.8 45.92 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -92.14 154.59 18.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -133.46 133.91 42.88 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.616 0.367 . . . . 0.0 110.895 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.8 tp -106.43 146.38 30.59 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.408 1.083 . . . . 0.0 110.19 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -150.46 120.8 7.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -152.5 130.64 11.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.926 0.891 . . . . 0.0 109.292 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.43 47.48 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -82.19 -7.77 59.63 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.914 0.357 . . . . 0.0 111.536 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -91.58 142.84 27.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.295 0.638 . . . . 0.0 111.985 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -153.74 147.52 25.33 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.531 0.733 . . . . 0.0 109.572 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.435 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 66.0 t-105 -150.75 143.73 24.68 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.499 0.19 . . . . 0.0 111.49 -174.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -107.1 129.91 54.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.063 0.545 . . . . 0.0 110.217 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.278 78.9 m-85 -82.78 61.68 5.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -141.63 165.14 28.32 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.982 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.8 p -62.61 150.47 40.61 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.069 0.548 . . . . 0.0 112.006 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -146.33 -167.12 2.65 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.095 0.958 . . . . 0.0 110.678 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 123' ' ' LEU . 1.4 mm? -61.13 -34.71 75.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.885 0.874 . . . . 0.0 112.445 -173.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -136.06 4.82 3.01 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 123.245 0.618 . . . . 0.0 110.969 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.274 16.4 t80 -123.88 148.49 46.77 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.12 143.74 29.54 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-O 120.659 0.266 . . . . 0.0 111.219 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.6 t -158.76 162.23 37.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.664 0.786 . . . . 0.0 110.491 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.487 ' HB3' ' HZ1' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -77.07 171.22 15.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.043 0.537 . . . . 0.0 110.824 -179.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -139.77 165.8 26.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.904 0.882 . . . . 0.0 110.48 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.6 tp -100.49 128.66 46.49 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 t -107.6 143.13 36.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.55 141.25 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.935 0.494 . . . . 0.0 109.729 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.558 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.4 m-85 -129.28 147.35 51.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.04 143.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.938 0.495 . . . . 0.0 111.317 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.04 142.31 46.34 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.71 58.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 111.015 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.39 112.7 7.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -155.38 -1.38 0.15 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 116.647 2.092 . . . . 0.0 116.647 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -151.01 0.94 0.41 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 163.0 -168.7 37.91 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.8 p -154.3 152.72 30.6 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.991 0.517 . . . . 0.0 110.277 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 tt -84.25 -54.09 5.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.16 0.184 . . . . 0.0 111.08 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 44.74 85.47 0.17 Allowed Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.37 162.84 40.94 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.416 2.744 . . . . 0.0 110.905 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 13.0 ptm85 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 117.529 -1.224 . . . . 0.0 110.536 -179.486 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 110.775 -0.083 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -74.07 151.44 40.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.58 0.228 . . . . 0.0 110.734 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.82 -7.03 22.89 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.76 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -83.97 -0.83 53.12 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.61 0.705 . . . . 0.0 112.538 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.5 ptp85 -86.24 -177.58 6.28 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.591 0.756 . . . . 0.0 110.415 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -144.56 166.37 25.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 42.8 t80 -52.85 136.62 33.79 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 -174.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 83.41 3.51 89.89 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-O 119.705 -0.497 . . . . 0.0 112.868 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -56.52 141.39 42.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.371 1.085 . . . . 0.0 113.664 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.78 -15.7 40.88 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.085 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -84.27 117.06 23.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.167 0.984 . . . . 0.0 112.93 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -137.64 151.6 48.46 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.005 0.366 . . . . 0.0 110.903 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.37 147.65 29.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -129.57 126.88 39.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.952 0.501 . . . . 0.0 109.714 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -156.8 156.79 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -176.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -66.05 117.34 8.25 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -67.41 -18.7 65.21 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.47 124.55 7.41 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.271 0.487 . . . . 0.0 110.248 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -120.79 149.81 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 124.531 1.133 . . . . 0.0 108.254 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.74 140.83 40.9 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -153.08 156.05 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.991 0.516 . . . . 0.0 111.299 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -89.5 156.76 18.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.953 -0.467 . . . . 0.0 110.246 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -69.12 142.09 54.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.376 -0.202 . . . . 0.0 110.727 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.92 3.77 65.61 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.842 -0.976 . . . . 0.0 114.937 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.35 173.94 12.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.292 1.546 . . . . 0.0 111.716 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -91.94 168.14 11.62 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.56 155.88 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.756 1.222 . . . . 0.0 108.894 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -119.46 141.71 48.9 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 110.317 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.51 87.65 26.33 Favored Pre-proline 0 CA--C 1.53 0.19 0 C-N-CA 124.079 0.951 . . . . 0.0 111.007 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.46 143.19 46.76 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.113 2.542 . . . . 0.0 111.255 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -161.79 167.0 25.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 111.522 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -153.84 169.21 23.94 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 122.923 0.489 . . . . 0.0 111.245 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -139.4 172.52 12.69 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -147.77 148.64 31.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.832 0.853 . . . . 0.0 110.256 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.409 ' CD2' ' HE3' ' A' ' 115' ' ' MET . 9.0 p90 -154.36 156.24 31.54 Favored Pre-proline 0 CA--C 1.529 0.137 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 -174.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -67.28 158.2 58.11 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.318 2.679 . . . . 0.0 110.195 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -80.13 -1.92 42.31 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.83 132.23 46.44 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.27 75.6 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.231 -0.761 . . . . 0.0 114.343 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.3 p-90 -150.5 167.03 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.783 1.292 . . . . 0.0 112.512 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 167.37 18.97 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.57 -11.42 16.5 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -103.76 -6.08 21.84 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.091 0.557 . . . . 0.0 112.327 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -75.41 145.78 80.05 Favored Pre-proline 0 N--CA 1.453 -0.3 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -71.35 159.88 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.84 3.026 . . . . 0.0 110.047 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.36 144.48 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 122.686 0.394 . . . . 0.0 110.249 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -148.98 165.39 31.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.733 1.213 . . . . 0.0 109.906 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.85 160.48 26.64 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -150.04 167.86 25.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -135.01 146.51 49.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.755 1.222 . . . . 0.0 111.415 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -144.5 152.22 40.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.694 0.398 . . . . 0.0 111.033 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -73.49 146.11 45.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.38 135.92 53.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.3 -10.46 74.22 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.632 0.634 . . . . 0.0 112.688 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -71.29 166.33 21.8 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -128.35 106.62 19.4 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 123.842 0.857 . . . . 0.0 109.098 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.18 -20.74 32.5 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 124.017 3.145 . . . . 0.0 114.429 -175.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.252 12.6 p90 -79.17 -7.42 58.2 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -134.6 -31.18 1.07 Allowed 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 122.45 0.3 . . . . 0.0 111.19 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -85.32 154.73 21.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.24 143.72 42.67 Favored Pre-proline 0 N--CA 1.451 -0.395 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.45 155.89 59.14 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.933 2.422 . . . . 0.0 110.252 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 m -82.46 -17.49 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 O-C-N 122.274 -0.266 . . . . 0.0 111.02 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.51 152.91 12.57 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.331 1.052 . . . . 0.0 109.137 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 t -160.74 155.82 24.4 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.352 0.524 . . . . 0.0 111.822 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -89.14 -16.43 31.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.021 0.529 . . . . 0.0 110.618 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -78.1 119.77 78.62 Favored Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.56 -19.04 28.71 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.272 2.648 . . . . 0.0 112.072 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -85.73 -14.91 43.88 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -100.99 130.37 46.97 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 123.207 0.603 . . . . 0.0 109.679 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -82.95 -179.69 7.52 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.33 172.24 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.048 0.539 . . . . 0.0 111.943 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -58.68 144.98 41.64 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.574 0.35 . . . . 0.0 111.048 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.96 -23.62 65.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.414 0.286 . . . . 0.0 111.728 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.87 -14.61 53.93 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.12 0.418 . . . . 0.0 111.18 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -110.41 -0.3 17.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -60.78 125.06 22.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 1.73 60.38 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.281 -0.733 . . . . 0.0 113.671 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -118.18 -28.58 5.79 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.55 1.175 . . . . 0.0 112.218 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -96.18 141.26 29.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.36 148.5 23.24 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.41 143.55 32.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.6 mt -116.47 177.42 4.7 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.743 0.817 . . . . 0.0 110.008 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.69 -149.23 36.29 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -142.62 128.88 19.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -23.65 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 O-C-N 122.166 -0.334 . . . . 0.0 111.713 -176.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -79.09 -8.89 59.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.659 0.384 . . . . 0.0 110.687 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -105.01 12.39 32.33 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.101 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 60.1 23.9 13.15 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.449 1.099 . . . . 0.0 113.424 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -83.75 146.56 28.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.1 p -128.43 10.48 6.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.473 0.709 . . . . 0.0 111.79 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.6 m -45.28 130.7 8.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.08 0.952 . . . . 0.0 111.918 -171.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.9 tp -114.56 148.4 38.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.978 0.911 . . . . 0.0 109.128 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -139.02 136.07 34.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.74 133.58 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -115.89 140.6 49.07 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.9 t0 48.74 60.05 3.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.86 148.67 33.93 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.56 0.344 . . . . 0.0 111.679 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -139.7 164.0 31.09 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.79 0.836 . . . . 0.0 109.227 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -60.25 -15.26 23.15 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.47 -14.3 59.43 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 122.653 0.381 . . . . 0.0 111.897 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -80.55 -15.63 56.19 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.617 ' HE2' ' CD2' ' A' ' 133' ' ' PHE . 64.2 tttm -65.23 130.46 43.43 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.39 -151.48 23.05 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -139.25 152.26 47.15 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.701 0.8 . . . . 0.0 110.408 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -146.62 164.39 32.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -141.18 158.63 43.65 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -96.05 154.69 17.11 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -132.07 133.49 44.41 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 122.681 0.392 . . . . 0.0 110.928 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 tp -104.55 144.99 30.93 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.938 0.895 . . . . 0.0 110.568 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.52 120.37 7.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 122.914 0.486 . . . . 0.0 109.837 173.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -153.97 131.05 11.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.06 -138.86 47.03 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -82.71 -4.88 58.49 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.469 0.308 . . . . 0.0 111.38 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.409 ' HE3' ' CD2' ' A' ' 35' ' ' TYR . 46.6 ttp -88.89 138.85 31.03 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.537 0.735 . . . . 0.0 111.969 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.31 144.8 31.64 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 173.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.402 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.3 t-105 -156.42 146.36 21.14 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 117.691 0.223 . . . . 0.0 110.692 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -115.28 129.05 56.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.701 0.4 . . . . 0.0 109.97 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.287 81.1 m-85 -80.08 59.57 3.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -136.53 157.93 45.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.682 0.793 . . . . 0.0 109.583 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 97.6 p -63.24 153.06 35.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.773 0.321 . . . . 0.0 111.239 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -145.34 -166.65 2.48 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.038 0.935 . . . . 0.0 109.985 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.585 ' H ' HD21 ' A' ' 123' ' ' LEU . 1.7 mm? -55.93 -28.64 57.82 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.566 0.746 . . . . 0.0 112.267 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -141.3 -30.44 0.61 Allowed 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 122.959 0.503 . . . . 0.0 110.745 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -74.65 145.86 42.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.2 142.73 28.7 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 122.42 0.288 . . . . 0.0 110.566 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -157.68 161.7 38.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.243 0.617 . . . . 0.0 110.555 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -75.72 170.66 15.76 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.17 0.509 . . . . 0.0 110.552 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -139.18 165.74 26.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.129 0.972 . . . . 0.0 110.539 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.2 tp -100.69 120.58 40.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.7 t -98.93 142.83 29.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.6 t -128.02 140.4 49.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 122.919 0.488 . . . . 0.0 109.737 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.617 ' CD2' ' HE2' ' A' ' 103' ' ' LYS . 30.2 m-85 -128.38 149.76 50.39 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 115.686 1.735 . . . . 0.0 115.686 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.2 143.12 37.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 122.896 0.479 . . . . 0.0 111.66 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.7 m -133.06 141.69 48.36 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.24 141.52 58.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.94 118.26 10.91 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -149.74 2.54 0.53 Allowed 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -150.46 30.26 0.68 Allowed 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 122.711 0.405 . . . . 0.0 111.313 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 90.34 160.27 36.36 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 79.7 p -73.86 151.48 40.48 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.506 0.722 . . . . 0.0 111.783 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 tt -83.07 -49.1 9.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.004 0.522 . . . . 0.0 110.482 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.6 t 59.56 134.22 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.353 0 C-N-CA 125.816 1.646 . . . . 0.0 115.364 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -55.15 153.22 27.44 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 123.348 2.698 . . . . 0.0 112.352 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.175 -176.182 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -70.96 155.96 40.19 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 120.736 0.303 . . . . 0.0 111.106 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.29 3.31 73.0 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 123.492 0.568 . . . . 0.0 112.121 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -155.86 116.92 3.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.823 0.849 . . . . 0.0 111.094 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -155.67 165.58 36.12 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.486 0.715 . . . . 0.0 110.172 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -96.43 166.06 11.88 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.252 39.4 t80 -59.0 128.74 38.76 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -173.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.26 3.23 89.73 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 119.359 -0.69 . . . . 0.0 113.455 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -67.15 152.32 45.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.901 1.35 . . . . 0.0 107.984 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.23 -15.74 37.67 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 123.832 0.73 . . . . 0.0 112.797 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -84.72 118.56 24.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.143 0.972 . . . . 0.0 112.66 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 mt -136.02 150.41 49.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 122.382 0.273 . . . . 0.0 110.534 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -148.42 147.71 29.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.443 0.297 . . . . 0.0 110.285 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -131.4 128.74 40.2 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.452 0.701 . . . . 0.0 109.316 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -160.0 156.72 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.591 0.756 . . . . 0.0 110.701 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.94 119.05 9.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.06 -18.31 62.57 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -152.02 123.78 7.95 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.177 0.444 . . . . 0.0 109.992 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -119.43 148.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.313 1.045 . . . . 0.0 108.218 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.24 141.13 42.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.98 153.39 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.593 0.357 . . . . 0.0 111.96 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -84.44 156.94 21.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -72.85 142.51 47.97 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.451 0.3 . . . . 0.0 110.905 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.0 6.36 65.23 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.09 -0.839 . . . . 0.0 114.737 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.74 171.1 14.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.006 1.403 . . . . 0.0 111.55 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -92.57 166.09 12.68 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.824 0.85 . . . . 0.0 113.197 -170.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.7 155.26 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.376 1.07 . . . . 0.0 109.747 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -117.08 140.22 49.76 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.978 0.911 . . . . 0.0 110.102 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.94 90.62 31.22 Favored Pre-proline 0 N--CA 1.456 -0.161 0 C-N-CA 124.525 1.13 . . . . 0.0 111.166 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.75 147.16 85.39 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.306 2.671 . . . . 0.0 111.492 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.6 t -156.97 148.35 22.21 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.564 0.746 . . . . 0.0 110.468 -176.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.3 p -151.44 162.0 41.72 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.225 0.61 . . . . 0.0 110.115 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -148.68 174.43 12.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -146.63 150.78 36.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.731 0.813 . . . . 0.0 109.94 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.39 154.52 32.09 Favored Pre-proline 0 CA--C 1.53 0.19 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.78 155.62 69.72 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.059 2.506 . . . . 0.0 110.166 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -78.09 1.82 19.89 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.159 0.583 . . . . 0.0 112.415 -176.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.77 128.29 35.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.96 7.47 80.73 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.904 -0.942 . . . . 0.0 114.341 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.476 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.8 p-90 -151.29 168.49 24.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.182 1.491 . . . . 0.0 112.96 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 167.62 18.21 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -63.23 -4.46 2.51 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -120.87 -1.63 9.89 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 122.962 0.505 . . . . 0.0 112.074 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -72.09 143.79 86.66 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.79 156.01 34.97 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.471 2.781 . . . . 0.0 111.63 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.99 145.04 20.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 122.714 0.406 . . . . 0.0 110.368 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -149.39 165.22 32.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.803 0.841 . . . . 0.0 110.763 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.04 157.73 26.53 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -151.26 171.27 17.7 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -138.59 146.44 41.8 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.568 1.147 . . . . 0.0 111.407 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -143.23 152.31 41.57 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.782 0.433 . . . . 0.0 111.036 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -70.54 145.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.72 133.37 55.3 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.99 -7.28 78.98 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-O 119.612 -0.549 . . . . 0.0 113.02 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -72.31 166.78 21.79 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -117.39 109.07 42.56 Favored Pre-proline 0 C--O 1.231 0.127 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.86 -15.42 16.76 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.364 2.709 . . . . 0.0 112.991 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -97.29 -5.11 37.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -130.76 -12.77 3.76 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.334 0.254 . . . . 0.0 111.572 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -122.58 156.04 35.05 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.361 0.664 . . . . 0.0 110.1 -174.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.38 147.93 57.8 Favored Pre-proline 0 N--CA 1.452 -0.367 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.36 154.59 65.22 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.115 2.544 . . . . 0.0 110.403 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.47 -16.51 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 O-C-N 122.23 -0.294 . . . . 0.0 111.662 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.13 148.62 11.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.978 0.911 . . . . 0.0 109.812 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -162.11 158.39 24.7 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 122.395 0.278 . . . . 0.0 111.097 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -106.53 -1.15 23.32 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -70.15 135.06 87.12 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.9 -18.25 19.14 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.709 2.939 . . . . 0.0 113.222 -174.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -110.52 -23.67 10.99 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -79.22 131.4 36.17 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -82.17 -178.56 7.07 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 123.131 0.572 . . . . 0.0 110.668 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.29 167.83 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 123.642 0.777 . . . . 0.0 111.642 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.19 146.76 37.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.798 0.439 . . . . 0.0 111.155 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -20.89 64.07 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -86.39 -7.22 58.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.836 0.289 . . . . 0.0 111.669 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.449 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -120.78 -5.96 9.64 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.04 132.25 53.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.709 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.37 1.68 71.02 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.191 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -126.37 -35.08 2.42 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.699 1.25 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -84.65 140.37 31.38 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -156.84 146.57 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.263 0.225 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.0 mt -97.36 145.28 26.29 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.82 173.78 6.45 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.28 0.632 . . . . 0.0 110.199 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.83 -154.57 37.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -132.64 131.25 41.17 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 pt -65.92 -28.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 123.149 0.579 . . . . 0.0 111.39 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -80.18 -9.13 59.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.109 0.163 . . . . 0.0 111.238 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t -102.31 10.76 38.94 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.27 1.028 . . . . 0.0 110.263 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 59.31 30.74 20.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.183 0.993 . . . . 0.0 112.473 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -82.04 145.07 30.41 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.432 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.0 p -131.43 15.64 4.98 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.351 0.66 . . . . 0.0 110.844 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.7 m -54.12 141.29 29.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.343 0.657 . . . . 0.0 111.165 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.4 tp -126.34 148.57 49.54 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.012 0.925 . . . . 0.0 108.936 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -138.99 138.95 37.72 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.42 124.75 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -101.33 139.12 37.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 45.5 59.74 3.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.05 14.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -134.63 166.05 23.81 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.936 0.894 . . . . 0.0 109.616 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -60.82 -17.97 52.88 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -74.67 -15.26 60.81 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.223 0.609 . . . . 0.0 111.963 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -82.81 -12.93 57.09 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.553 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.47 131.47 45.74 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.4 -155.29 26.05 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -136.6 151.91 49.87 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.949 0.499 . . . . 0.0 110.318 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -148.21 165.31 31.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -140.39 156.56 46.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.292 0.637 . . . . 0.0 111.05 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -88.29 154.62 20.27 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -138.89 148.06 43.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.084 -0.385 . . . . 0.0 110.728 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.74 143.37 50.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.805 0.842 . . . . 0.0 111.916 -170.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -140.8 129.99 23.55 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.693 0.797 . . . . 0.0 109.511 169.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -154.34 129.6 9.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.44 47.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 t -79.11 -12.42 60.0 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.722 -0.281 . . . . 0.0 110.915 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -86.66 143.08 27.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.336 0.654 . . . . 0.0 112.457 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 144.63 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.298 1.039 . . . . 0.0 108.618 173.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -153.77 159.66 42.0 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.098 0.159 . . . . 0.0 110.573 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.6 t -133.53 134.81 43.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.248 0.619 . . . . 0.0 110.031 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.29 79.8 m-85 -85.31 61.59 6.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -136.62 163.7 29.94 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.497 0.719 . . . . 0.0 110.123 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p -62.97 150.39 42.38 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.574 0.35 . . . . 0.0 110.979 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -146.79 -167.31 2.73 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.193 0.997 . . . . 0.0 110.15 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.555 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.5 mm? -62.8 -32.35 73.51 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.729 0.812 . . . . 0.0 112.217 -172.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -136.86 3.68 2.72 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.097 0.559 . . . . 0.0 110.718 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 19.0 t80 -123.41 147.99 46.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -174.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -146.22 144.38 29.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.766 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.8 t -158.62 160.68 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.959 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.502 ' HB3' ' HZ1' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -76.15 171.1 15.08 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.949 0.499 . . . . 0.0 111.054 -179.223 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -138.71 163.7 31.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.67 0.788 . . . . 0.0 110.31 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.52 133.73 44.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.68 143.21 44.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.0 t -127.52 140.31 49.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 C-N-CA 122.91 0.484 . . . . 0.0 109.789 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.7 m-85 -129.25 146.08 51.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.68 143.19 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 122.775 0.43 . . . . 0.0 111.483 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -133.01 141.08 48.09 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.48 140.82 58.91 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.479 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.63 122.19 19.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -145.3 -19.13 0.48 Allowed 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -161.97 139.44 8.61 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.612 0.765 . . . . 0.0 109.587 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 61.45 -173.01 7.22 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.164 0.411 . . . . 0.0 112.941 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 88.2 p -160.59 153.16 20.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.094 0.958 . . . . 0.0 109.51 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 tt -81.54 -51.99 7.68 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 119.445 -0.312 . . . . 0.0 111.406 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.7 t 60.05 132.8 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.508 1.523 . . . . 0.0 114.919 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -66.53 153.22 78.81 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.922 2.414 . . . . 0.0 110.293 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.215 -1.374 . . . . 0.0 110.177 -174.335 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 ttp . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 110.841 -0.059 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -68.32 154.03 42.58 Favored 'General case' 0 N--CA 1.457 -0.086 0 CA-C-O 120.936 0.398 . . . . 0.0 111.106 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.02 -4.57 78.15 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -72.3 -4.82 31.99 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -155.75 171.11 20.57 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.308 0.643 . . . . 0.0 110.138 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -133.52 166.46 22.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -52.6 124.14 12.94 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -171.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 91.53 -0.55 74.44 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.548 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.07 149.27 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.21 -15.5 6.78 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.63 0.633 . . . . 0.0 112.971 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -83.72 121.72 27.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.054 0.927 . . . . 0.0 112.458 176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -140.0 158.47 44.01 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.767 0.427 . . . . 0.0 110.324 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.6 145.71 32.72 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.063 0.545 . . . . 0.0 109.693 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -131.42 115.92 16.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -155.82 154.3 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.171 0.588 . . . . 0.0 110.955 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.1 118.78 11.71 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.73 -19.57 65.16 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -153.79 124.97 7.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.236 0.471 . . . . 0.0 110.042 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.6 t -120.74 149.92 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.309 1.043 . . . . 0.0 108.309 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.55 139.92 40.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 177.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.1 153.54 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.796 0.438 . . . . 0.0 111.881 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -84.75 158.21 20.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.018 0.437 . . . . 0.0 109.92 174.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -73.86 140.13 45.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.508 0.323 . . . . 0.0 110.929 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.85 6.24 63.76 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 119.011 -0.883 . . . . 0.0 114.688 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.67 175.19 10.56 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.988 1.394 . . . . 0.0 111.853 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.6 m -92.72 165.43 12.95 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.84 155.71 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.389 1.076 . . . . 0.0 109.108 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -118.55 140.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.58 0.752 . . . . 0.0 110.047 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.1 89.55 28.39 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 123.818 0.847 . . . . 0.0 110.461 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.29 142.96 46.9 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.174 2.583 . . . . 0.0 111.244 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -161.45 166.78 26.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.038 0.446 . . . . 0.0 111.327 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -152.2 171.06 18.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.138 0.575 . . . . 0.0 110.977 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -140.49 170.35 15.96 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -147.34 150.16 34.21 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.098 0.559 . . . . 0.0 109.855 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -154.09 156.03 31.57 Favored Pre-proline 0 CA--C 1.529 0.16 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -174.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.54 158.63 56.89 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.122 2.548 . . . . 0.0 110.016 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -79.1 -1.11 34.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.249 0.62 . . . . 0.0 111.952 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.87 129.21 38.91 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.75 4.56 69.69 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 119.071 -0.85 . . . . 0.0 114.214 174.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.468 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.68 166.57 30.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.99 1.395 . . . . 0.0 112.419 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.13 167.66 18.76 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -62.97 -12.18 23.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -99.87 -6.28 27.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.99 0.516 . . . . 0.0 112.219 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.35 146.26 73.82 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.44 161.74 43.4 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.801 3.001 . . . . 0.0 110.024 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -144.99 144.97 21.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.929 0.395 . . . . 0.0 110.442 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -148.93 165.27 32.08 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.773 1.229 . . . . 0.0 110.038 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.66 158.85 27.17 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -150.02 172.01 15.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -136.37 146.42 46.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.303 1.041 . . . . 0.0 111.533 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.72 148.74 37.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -75.93 137.57 40.44 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 134.96 57.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.28 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.7 -2.73 87.81 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.031 -0.872 . . . . 0.0 113.914 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -84.36 -169.39 2.59 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.301 1.55 . . . . 0.0 107.733 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -131.5 99.81 16.98 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.204 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.37 -19.17 34.17 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 124.093 3.196 . . . . 0.0 113.725 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.258 14.2 p90 -77.77 -6.01 52.62 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -134.39 -30.89 1.12 Allowed 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.428 0.291 . . . . 0.0 110.667 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -89.05 155.27 19.57 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.04 150.72 75.18 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -71.91 153.58 58.33 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 122.941 2.427 . . . . 0.0 109.932 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.94 -16.33 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.28 15.51 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.021 0.929 . . . . 0.0 109.485 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -161.79 164.66 28.74 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.587 0.355 . . . . 0.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -115.24 -2.04 12.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.536 0.735 . . . . 0.0 111.084 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -75.27 122.15 86.71 Favored Pre-proline 0 N--CA 1.449 -0.49 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.12 -17.96 35.61 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.345 2.697 . . . . 0.0 112.084 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -93.88 -11.57 30.79 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -104.0 137.52 41.85 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.893 0.477 . . . . 0.0 110.492 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -90.95 -178.97 5.36 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.98 0.512 . . . . 0.0 109.934 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.53 172.84 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.392 0.677 . . . . 0.0 112.254 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.65 145.15 40.84 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.808 0.443 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -20.57 64.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -85.49 -11.82 53.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.851 0.296 . . . . 0.0 110.832 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.436 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -115.14 -0.15 13.39 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.86 128.01 34.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.79 2.06 56.03 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 119.535 -0.592 . . . . 0.0 113.288 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.2 mtm105 -119.26 -29.2 5.25 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.306 1.053 . . . . 0.0 112.157 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.436 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -97.8 140.3 32.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.57 151.2 25.73 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.143 0.177 . . . . 0.0 110.536 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.61 144.77 30.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.36 178.13 4.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.845 0.858 . . . . 0.0 110.098 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.65 -150.71 36.74 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -138.78 129.66 26.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -30.52 50.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 122.72 0.408 . . . . 0.0 111.421 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -79.56 -5.27 54.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.648 0.379 . . . . 0.0 111.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.3 t -106.11 12.75 29.92 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.217 1.007 . . . . 0.0 109.623 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 58.67 24.38 12.08 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.682 1.193 . . . . 0.0 112.971 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -83.22 144.54 29.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.1 p -127.69 11.05 6.68 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.172 0.589 . . . . 0.0 111.351 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -44.08 129.5 6.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.686 0.795 . . . . 0.0 111.763 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.4 tp -111.05 148.23 33.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.664 0.786 . . . . 0.0 109.112 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.8 t -137.85 136.22 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.39 133.8 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -115.99 140.79 48.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.5 t0 48.64 59.64 4.23 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 123.176 0.297 . . . . 0.0 110.277 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 147.9 30.48 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -136.53 163.75 29.78 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.592 0.757 . . . . 0.0 109.219 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -60.8 -18.04 52.99 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.4 tpp85 -73.43 -20.76 60.64 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.374 0.67 . . . . 0.0 111.605 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -75.84 -15.53 60.21 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.0 tttt -64.87 131.1 45.8 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.87 -149.77 21.28 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -141.62 153.47 44.78 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.075 0.55 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -147.31 166.88 25.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.4 155.92 45.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.209 0.604 . . . . 0.0 110.533 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -90.0 154.33 19.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -134.3 137.08 43.97 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 117.894 0.315 . . . . 0.0 110.946 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -110.01 145.48 36.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.772 0.829 . . . . 0.0 110.382 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.13 120.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.202 0.601 . . . . 0.0 109.617 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -153.99 130.09 10.34 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.5 0.72 . . . . 0.0 109.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.01 -138.79 47.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.2 t -80.84 -10.11 59.75 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.733 -0.275 . . . . 0.0 110.858 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 ttp -84.83 140.96 30.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.543 0.737 . . . . 0.0 111.997 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 146.12 32.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.527 1.131 . . . . 0.0 108.003 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.417 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 71.4 t-105 -154.35 149.35 26.78 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.782 0.264 . . . . 0.0 110.98 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -118.29 131.57 56.34 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.819 0.448 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.307 80.9 m-85 -85.69 60.8 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -141.19 164.21 30.88 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 123.518 0.727 . . . . 0.0 109.649 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.4 m -63.43 144.26 57.12 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.512 0.196 . . . . 0.0 110.976 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -145.47 -177.13 5.41 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.369 1.068 . . . . 0.0 110.703 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.527 ' H ' HD21 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -51.72 -38.63 56.04 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -170.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -133.49 21.35 3.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.181 0.593 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -138.08 149.42 45.96 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -145.5 136.69 24.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.353 0.261 . . . . 0.0 110.698 -173.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.3 t -158.33 158.66 34.76 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -77.85 169.1 18.85 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.567 0.747 . . . . 0.0 111.108 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -136.92 169.63 17.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.986 0.915 . . . . 0.0 110.488 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.3 tp -100.54 129.01 46.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.5 t -108.33 143.16 37.59 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.6 t -127.48 140.03 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.3 m-85 -128.02 148.02 50.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.19 143.51 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 122.847 0.459 . . . . 0.0 112.009 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.33 141.87 45.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.82 141.74 58.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.53 124.28 22.79 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.8 t -147.49 -0.26 0.66 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -151.05 -11.65 0.22 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 151.64 162.99 11.14 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 118.686 0.676 . . . . 0.0 111.718 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.7 t -74.21 147.22 42.7 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 122.692 0.397 . . . . 0.0 111.494 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.3 tt -83.6 -42.58 16.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.267 0.627 . . . . 0.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.8 t 63.79 128.72 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.327 0 C-N-CA 125.449 1.5 . . . . 0.0 114.35 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.31 163.06 35.94 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.011 2.474 . . . . 0.0 111.926 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.157 -1.401 . . . . 0.0 110.776 178.155 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.707 0.289 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -68.85 154.35 42.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.049 0.54 . . . . 0.0 111.495 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.07 -1.94 78.56 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.923 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -76.7 13.61 0.98 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -157.73 175.62 13.66 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.957 0.903 . . . . 0.0 109.632 -174.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -90.98 161.69 15.05 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -58.83 132.97 55.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -173.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.53 3.66 86.7 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.415 -0.658 . . . . 0.0 113.595 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.16 148.34 41.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.953 1.376 . . . . 0.0 111.117 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.18 -15.35 39.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.39 -0.672 . . . . 0.0 112.908 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -85.24 119.86 26.08 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.614 1.207 . . . . 0.0 112.532 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.3 mt -138.88 152.07 47.48 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 117.847 0.294 . . . . 0.0 111.038 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -148.55 147.23 28.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.5 125.23 35.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.744 0.418 . . . . 0.0 110.267 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -159.68 162.3 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.427 1.091 . . . . 0.0 110.169 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -62.46 125.88 25.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.01 -14.64 62.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.322 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 tp -152.03 135.66 16.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.159 0.584 . . . . 0.0 110.339 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.6 t -130.91 146.77 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.73 141.77 43.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 177.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -155.02 153.94 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 123.299 0.64 . . . . 0.0 111.089 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -85.83 157.94 20.09 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.017 0.437 . . . . 0.0 110.034 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -72.22 143.06 48.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.025 -0.422 . . . . 0.0 110.92 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.5 5.39 67.08 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-O 119.07 -0.85 . . . . 0.0 114.313 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.84 171.99 13.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.942 1.371 . . . . 0.0 111.189 176.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -94.09 166.29 12.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -170.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.52 157.85 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.919 0.888 . . . . 0.0 109.183 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -121.24 141.07 51.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.623 0.769 . . . . 0.0 110.112 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -133.17 89.27 33.72 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 123.927 0.891 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.13 143.47 44.37 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.081 2.521 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -161.66 166.61 26.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.8 t -153.74 165.25 36.6 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.935 0.494 . . . . 0.0 110.85 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.44 170.14 16.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 t -144.81 149.3 35.21 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.254 0.621 . . . . 0.0 110.446 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -155.15 155.9 30.56 Favored Pre-proline 0 CA--C 1.529 0.172 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -67.2 159.3 52.81 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.365 2.71 . . . . 0.0 110.284 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.3 tt0 -80.92 -0.89 41.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.33 132.74 46.89 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.79 2.37 78.7 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.123 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -148.03 165.38 30.95 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.735 1.268 . . . . 0.0 112.326 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.21 167.63 17.36 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.47 -10.35 17.11 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.9 p -110.02 -2.33 17.12 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.51 146.73 86.53 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.84 160.88 47.96 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.797 2.998 . . . . 0.0 110.286 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 144.51 20.96 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 122.746 0.418 . . . . 0.0 110.541 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.17 166.92 27.38 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.484 1.114 . . . . 0.0 110.002 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.58 157.95 27.16 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -151.73 171.71 17.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -136.79 149.46 47.79 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.352 1.061 . . . . 0.0 111.525 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -144.66 154.03 42.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.79 0.436 . . . . 0.0 110.578 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -75.27 148.75 39.15 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.73 136.47 58.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.769 -0.582 . . . . 0.0 109.539 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.39 -8.93 59.92 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.077 0.37 . . . . 0.0 112.308 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.03 134.23 35.37 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.01 0.924 . . . . 0.0 113.355 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -74.78 126.27 88.61 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.01 4.77 4.97 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.635 2.89 . . . . 0.0 113.811 -174.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.323 5.0 p90 -139.94 16.44 2.47 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -129.44 3.66 5.1 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 122.583 0.353 . . . . 0.0 111.755 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -158.24 167.43 29.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.79 149.13 98.0 Favored Pre-proline 0 N--CA 1.455 -0.214 0 C-N-CA 123.106 0.562 . . . . 0.0 111.141 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.71 160.11 49.0 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.828 3.019 . . . . 0.0 110.16 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -81.98 -17.39 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 154.25 17.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.729 0.811 . . . . 0.0 109.208 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -162.83 165.37 25.39 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.69 0.281 . . . . 0.0 111.343 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -117.38 -1.39 11.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.343 0.657 . . . . 0.0 110.898 175.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -72.7 124.94 91.36 Favored Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.33 -18.69 38.89 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 123.422 2.748 . . . . 0.0 112.529 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -98.92 -14.92 19.35 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -84.81 149.91 25.4 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.304 0.642 . . . . 0.0 111.014 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -109.63 179.59 4.09 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.441 0.696 . . . . 0.0 109.755 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.87 173.65 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -58.72 146.73 35.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.454 0.702 . . . . 0.0 111.481 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.2 65.3 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -86.05 -9.38 56.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.986 0.357 . . . . 0.0 111.376 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -116.27 -1.43 12.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -60.93 130.87 48.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.757 0.423 . . . . 0.0 109.923 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.67 1.96 54.93 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.049 -0.862 . . . . 0.0 113.341 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -120.55 -37.02 3.08 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.995 1.397 . . . . 0.0 111.854 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -84.2 138.94 32.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -157.1 149.93 23.55 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -101.98 144.79 30.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.2 mt -118.63 179.06 4.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.99 0.916 . . . . 0.0 110.366 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.12 -149.64 34.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -138.96 128.39 24.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -30.06 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.888 0.475 . . . . 0.0 111.338 -177.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.07 -2.35 40.06 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 122.694 0.398 . . . . 0.0 110.736 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -111.91 12.9 20.84 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.542 1.137 . . . . 0.0 109.619 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 60.11 24.47 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.608 1.163 . . . . 0.0 113.558 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.52 142.45 34.16 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -123.06 10.28 9.4 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.34 0.656 . . . . 0.0 111.231 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.5 m -44.6 129.61 6.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.958 0.903 . . . . 0.0 111.821 -172.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.1 tp -114.38 147.59 38.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.181 0.992 . . . . 0.0 108.854 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -137.4 136.57 37.97 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 110.086 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -107.28 124.7 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -102.29 140.56 36.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 45.56 58.67 4.08 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 148.29 17.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -133.99 166.07 23.56 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.128 0.971 . . . . 0.0 109.642 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -61.36 -18.92 60.98 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -74.08 -15.37 61.06 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -80.63 -13.73 58.79 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.66 0.384 . . . . 0.0 111.52 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.581 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -68.62 134.74 50.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.35 -150.15 22.29 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -140.62 152.37 45.37 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 123.119 0.568 . . . . 0.0 110.332 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -146.59 165.25 30.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.89 157.9 44.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -93.8 154.42 17.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -129.65 132.56 46.73 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 122.704 0.402 . . . . 0.0 110.338 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -103.02 144.34 31.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -148.33 118.88 7.43 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -153.79 130.82 11.02 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 123.537 0.735 . . . . 0.0 109.209 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.79 -138.14 48.8 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.6 p -85.21 -6.37 59.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.089 0.445 . . . . 0.0 110.925 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.3 ttp -86.09 135.99 33.4 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 111.58 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -142.4 143.59 32.74 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.816 1.247 . . . . 0.0 108.862 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -154.9 151.28 28.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 122.371 -0.206 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -120.78 129.2 53.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.073 0.549 . . . . 0.0 110.324 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.28 77.3 m-85 -81.57 62.45 5.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.17 162.03 36.66 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.242 0.617 . . . . 0.0 109.795 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.6 p -63.84 150.95 43.66 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.681 0.392 . . . . 0.0 111.895 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -145.5 -166.79 2.52 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.99 0.916 . . . . 0.0 110.184 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -51.86 -35.31 44.42 Favored 'General case' 0 C--N 1.339 0.144 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -137.22 -18.74 1.29 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.765 0.426 . . . . 0.0 111.937 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -84.13 148.06 27.0 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -146.38 139.73 25.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.75 0.25 . . . . 0.0 110.884 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.5 t -159.57 162.87 35.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.742 0.817 . . . . 0.0 110.672 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -77.37 171.51 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.032 0.533 . . . . 0.0 110.98 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.03 163.34 32.67 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.088 0.955 . . . . 0.0 110.239 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 tp -100.56 119.53 38.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 t -97.71 142.84 29.01 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.83 140.58 48.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.581 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -128.02 146.1 50.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.5 t -135.9 143.15 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.93 0.492 . . . . 0.0 110.882 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -134.42 141.06 46.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.16 140.73 58.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.915 0.388 . . . . 0.0 110.631 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.3 121.56 17.87 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -145.61 -18.81 0.47 Allowed 'General case' 0 C--O 1.231 0.089 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -162.11 138.11 7.66 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.7 0.8 . . . . 0.0 109.388 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 61.59 -173.57 7.14 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 123.441 0.543 . . . . 0.0 113.129 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.2 p -160.29 154.96 24.01 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.929 0.892 . . . . 0.0 109.444 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.3 tt -81.97 -52.6 6.89 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.4 t 58.73 128.78 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.81 153.16 73.45 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.758 2.305 . . . . 0.0 110.674 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 117.558 -1.21 . . . . 0.0 110.282 -179.775 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 120.635 0.255 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -69.13 154.71 41.61 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 122.893 0.477 . . . . 0.0 110.519 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.79 -11.9 69.99 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -80.31 0.94 30.71 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -155.2 -172.25 4.11 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.681 0.793 . . . . 0.0 110.723 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -130.62 164.13 25.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.275 38.3 t80 -59.11 130.09 45.3 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -171.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.43 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 83.42 6.76 87.31 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.28 -178.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.82 142.14 51.2 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.33 -15.43 9.12 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.878 0.751 . . . . 0.0 112.925 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -81.75 114.42 20.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.32 1.06 . . . . 0.0 112.755 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -137.74 153.71 49.7 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 122.643 0.377 . . . . 0.0 110.433 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 147.53 29.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -130.49 127.34 39.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.111 0.564 . . . . 0.0 109.696 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -157.56 157.72 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.751 0.82 . . . . 0.0 110.258 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.5 118.11 8.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -68.17 -18.87 64.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -153.72 125.19 7.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.281 0.492 . . . . 0.0 110.307 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.8 147.85 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.492 1.117 . . . . 0.0 108.246 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.54 140.4 41.04 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.86 154.3 7.91 Favored 'Isoleucine or valine' 0 C--N 1.337 0.032 0 C-N-CA 122.679 0.391 . . . . 0.0 111.047 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -86.61 156.97 19.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.87 142.17 53.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.22 -0.3 . . . . 0.0 110.589 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.81 3.65 65.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.846 -0.974 . . . . 0.0 114.647 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.66 171.91 13.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 119.298 1.549 . . . . 0.0 111.396 176.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 m -93.37 166.36 12.33 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.64 157.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.467 1.107 . . . . 0.0 109.216 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -121.07 142.15 50.1 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.764 0.826 . . . . 0.0 110.333 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.6 t -135.15 88.54 25.92 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.285 1.034 . . . . 0.0 110.959 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.32 143.08 47.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.348 2.699 . . . . 0.0 111.129 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.0 p -162.55 166.53 24.63 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 111.35 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.0 p -153.72 169.46 23.27 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.15 0.58 . . . . 0.0 110.922 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -141.23 170.27 16.05 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.1 m -143.13 147.32 34.78 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.137 0.975 . . . . 0.0 110.343 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -153.62 154.85 30.93 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -67.21 154.34 74.52 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.048 2.499 . . . . 0.0 109.857 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 56.1 tt0 -80.35 -1.54 41.57 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.776 0.43 . . . . 0.0 111.842 -177.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.91 141.39 51.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.21 1.34 90.35 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.209 -0.773 . . . . 0.0 114.273 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 66.8 p-90 -151.44 165.83 32.94 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.76 1.28 . . . . 0.0 111.914 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.9 161.78 27.48 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -60.51 -27.83 67.91 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -86.86 -6.47 58.79 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.97 149.36 94.87 Favored Pre-proline 0 C--O 1.231 0.13 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.73 158.7 56.1 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.55 2.833 . . . . 0.0 109.892 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.99 147.47 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 122.593 0.357 . . . . 0.0 110.158 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -149.22 164.06 35.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.808 1.243 . . . . 0.0 110.161 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.8 155.49 26.19 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -148.92 170.8 17.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -135.91 147.03 47.97 Favored 'General case' 0 CA--C 1.522 -0.115 0 C-N-CA 124.365 1.066 . . . . 0.0 111.627 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -143.96 152.48 41.14 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.34 137.6 39.94 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.98 135.83 56.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.972 0.415 . . . . 0.0 110.639 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.94 -5.84 81.13 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-O 118.914 -0.936 . . . . 0.0 114.126 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -84.39 -178.23 6.86 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.379 1.59 . . . . 0.0 107.571 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -108.9 112.64 60.08 Favored Pre-proline 0 C--O 1.233 0.191 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.55 -10.79 29.62 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.423 2.082 . . . . 0.0 110.524 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -94.25 -5.21 47.34 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -130.98 -14.76 3.44 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -113.54 158.11 21.18 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.44 149.34 84.02 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.76 155.45 53.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.865 2.377 . . . . 0.0 110.063 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -83.32 -16.79 11.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 O-C-N 122.148 -0.345 . . . . 0.0 111.834 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.63 153.63 13.01 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.396 1.078 . . . . 0.0 108.809 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -162.36 154.96 19.53 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -90.39 -13.32 35.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.707 0.803 . . . . 0.0 110.929 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -72.73 120.86 83.04 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -73.0 -17.16 25.27 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.428 2.752 . . . . 0.0 112.393 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -97.82 -15.16 20.37 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -92.43 133.98 35.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.864 0.466 . . . . 0.0 110.366 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -82.86 179.31 7.81 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.807 0.443 . . . . 0.0 110.002 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.62 173.58 14.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.11 0.564 . . . . 0.0 111.508 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -58.52 144.6 42.0 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.448 0.299 . . . . 0.0 111.33 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.8 65.83 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -84.35 -9.82 58.11 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.988 0.358 . . . . 0.0 111.043 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.444 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.28 -0.52 12.01 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -59.85 127.13 30.44 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.53 -1.48 43.91 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.643 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -113.39 -33.3 5.97 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.969 1.384 . . . . 0.0 112.063 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -87.44 141.45 28.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 174.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.32 147.44 22.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.3 mt -101.51 144.41 30.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 mt -115.98 171.27 7.89 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.676 0.79 . . . . 0.0 110.43 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.2 -155.44 50.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.258 7.5 p30 -137.26 144.85 42.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 178.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -23.82 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.833 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -81.58 5.32 18.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.302 0.641 . . . . 0.0 111.736 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t -126.77 15.09 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.941 0.897 . . . . 0.0 109.753 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 58.96 24.75 12.95 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.375 1.07 . . . . 0.0 113.227 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -82.46 144.85 30.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.7 p -128.03 9.94 6.35 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.339 0.656 . . . . 0.0 111.464 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 m -45.08 131.4 7.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.956 0.903 . . . . 0.0 111.482 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.6 tp -115.95 148.07 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 108.924 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.8 t -138.64 135.42 34.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 124.68 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -103.37 140.68 37.12 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.9 t0 48.68 62.4 2.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 147.68 37.64 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -139.18 165.54 26.89 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.738 0.815 . . . . 0.0 109.721 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.7 -13.8 26.11 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -76.39 -16.25 59.76 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.036 0.534 . . . . 0.0 111.529 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -83.69 -15.49 48.56 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 122.983 0.513 . . . . 0.0 111.83 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.564 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -65.31 133.61 51.79 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.99 -150.47 22.53 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.2 m -142.46 153.24 43.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.078 0.551 . . . . 0.0 109.974 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -148.37 166.65 27.44 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -144.48 158.71 43.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -94.25 154.57 17.47 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -131.81 137.24 48.05 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 122.436 0.294 . . . . 0.0 110.208 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.8 145.49 38.06 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 124.398 1.079 . . . . 0.0 110.288 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -150.94 119.43 6.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -153.48 131.71 11.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 109.082 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.96 -141.06 47.37 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -81.88 -5.9 58.64 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.102 0.451 . . . . 0.0 110.816 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -90.76 141.9 28.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.223 0.609 . . . . 0.0 112.163 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 145.33 31.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 174.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.43 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.8 t-105 -154.08 147.53 25.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.506 0.139 . . . . 0.0 111.137 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.4 m -116.11 131.13 57.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.667 0.387 . . . . 0.0 110.026 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.308 81.1 m-85 -82.04 57.93 3.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -134.99 158.11 45.18 Favored 'General case' 0 C--O 1.227 -0.094 0 C-N-CA 123.925 0.89 . . . . 0.0 108.909 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.4 m -63.81 145.2 56.22 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 122.182 -0.324 . . . . 0.0 110.82 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -145.79 -176.26 5.07 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.065 0.946 . . . . 0.0 110.61 -173.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.471 ' H ' HD21 ' A' ' 123' ' ' LEU . 1.1 pt? -50.81 -34.87 29.38 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -170.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -135.48 20.41 3.36 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.154 0.582 . . . . 0.0 110.649 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.257 22.4 t80 -137.04 148.83 47.06 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -171.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -145.9 136.89 24.57 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.138 0.575 . . . . 0.0 110.857 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.5 t -156.28 160.85 40.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.888 0.475 . . . . 0.0 111.793 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -76.9 169.78 17.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.081 0.467 . . . . 0.0 110.873 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -139.17 166.13 25.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.685 0.794 . . . . 0.0 110.673 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.48 123.67 45.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.2 t -102.45 142.92 32.87 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 172.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.12 141.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.149 0.58 . . . . 0.0 109.92 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.564 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.9 m-85 -130.27 147.05 51.95 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.8 t -135.43 143.45 36.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 122.795 0.438 . . . . 0.0 111.526 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -134.61 142.13 46.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.76 141.37 58.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.985 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.77 123.19 20.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.3 t -146.56 -20.93 0.42 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -160.68 136.56 8.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 62.38 -174.15 8.06 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-O 121.275 0.375 . . . . 0.0 113.153 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 87.1 p -159.7 154.08 23.85 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.982 0.913 . . . . 0.0 109.315 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.0 tt -80.96 -50.87 9.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 119.5 -0.286 . . . . 0.0 111.649 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.5 t 58.14 127.79 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 125.729 1.612 . . . . 0.0 115.158 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.53 145.43 82.28 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.159 1.906 . . . . 0.0 110.454 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 70.8 mmt-85 . . . . . 0 C--O 1.253 1.25 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.624 -179.459 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 120.674 0.274 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -69.21 152.54 44.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.865 0.364 . . . . 0.0 110.396 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.62 -1.09 59.14 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.347 0.499 . . . . 0.0 112.692 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.54 -11.37 60.01 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.142 0.971 . . . . 0.0 109.135 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -155.27 171.46 19.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.748 0.819 . . . . 0.0 109.676 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -133.01 166.23 22.88 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -56.63 129.27 40.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -170.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 89.29 0.56 79.9 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.412 -0.66 . . . . 0.0 113.585 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -60.17 149.11 33.86 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.71 -14.92 8.61 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.433 -0.648 . . . . 0.0 113.106 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.41 119.5 25.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.084 0.942 . . . . 0.0 112.653 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.7 mt -138.73 158.13 44.82 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.723 0.409 . . . . 0.0 110.527 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -143.93 143.51 31.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.105 0.562 . . . . 0.0 109.938 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.66 113.46 14.8 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -154.68 155.81 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.392 0.677 . . . . 0.0 110.702 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -67.82 119.27 12.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.511 0.724 . . . . 0.0 109.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.77 -19.13 64.31 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.61 124.35 7.86 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 118.35 0.523 . . . . 0.0 110.249 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -121.11 148.06 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.739 1.216 . . . . 0.0 108.242 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.81 141.97 42.9 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.89 154.63 7.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 122.906 0.482 . . . . 0.0 110.954 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.01 156.17 19.45 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -68.38 140.93 55.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.21 -0.306 . . . . 0.0 110.686 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.19 65.83 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.728 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.77 173.84 11.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 119.268 1.534 . . . . 0.0 111.696 176.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -91.75 167.41 12.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.72 155.32 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 124.539 1.136 . . . . 0.0 109.251 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -120.0 140.21 51.3 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.569 0.748 . . . . 0.0 110.157 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 t -134.35 89.12 28.28 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 123.732 0.813 . . . . 0.0 111.283 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -70.1 142.81 47.4 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.291 2.66 . . . . 0.0 111.237 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 p -161.48 167.66 25.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 122.196 0.198 . . . . 0.0 111.275 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -153.0 172.22 17.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.195 0.598 . . . . 0.0 110.692 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -141.41 170.71 15.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 t -147.72 149.63 32.79 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.042 0.537 . . . . 0.0 110.118 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -152.89 156.12 32.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -172.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.85 157.69 60.63 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.199 2.599 . . . . 0.0 110.339 173.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.7 tt0 -80.22 -1.93 42.72 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.142 0.577 . . . . 0.0 112.283 -177.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.76 139.82 55.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 4.98 90.06 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.75 -1.028 . . . . 0.0 114.326 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.3 p-90 -151.19 166.24 31.47 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 119.331 1.566 . . . . 0.0 112.88 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.94 166.36 22.53 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.04 -10.85 11.1 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -100.06 -5.3 28.21 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.952 0.501 . . . . 0.0 111.785 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -75.6 157.71 83.96 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -67.98 173.14 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.024 3.149 . . . . 0.0 112.072 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.08 140.1 27.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 124.0 0.92 . . . . 0.0 112.328 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -149.29 162.73 39.46 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.531 0.732 . . . . 0.0 111.026 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.81 156.23 26.57 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -152.24 172.49 16.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -138.46 147.78 43.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.729 1.212 . . . . 0.0 111.46 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -144.98 153.04 41.09 Favored 'General case' 0 CA--C 1.522 -0.12 0 C-N-CA 122.938 0.495 . . . . 0.0 110.584 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.63 146.51 42.37 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.3 135.46 56.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.66 -9.0 78.95 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.51 -0.605 . . . . 0.0 113.003 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -69.02 160.1 31.6 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -104.81 97.99 14.09 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.5 -13.86 41.67 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.515 2.81 . . . . 0.0 114.509 -168.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.28 19.2 p90 -94.24 -0.7 54.93 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -134.09 -29.04 1.3 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 122.3 0.24 . . . . 0.0 111.389 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -84.15 156.64 22.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.293 0.637 . . . . 0.0 111.671 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.11 143.67 61.56 Favored Pre-proline 0 N--CA 1.45 -0.468 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -72.32 154.45 56.25 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.911 2.407 . . . . 0.0 110.23 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -81.73 -16.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 122.319 -0.238 . . . . 0.0 111.539 175.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.88 151.41 14.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.011 0.924 . . . . 0.0 109.219 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -161.72 161.57 29.4 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -110.48 -1.31 17.06 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.558 0.743 . . . . 0.0 110.673 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -70.51 127.79 91.71 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -71.22 -16.87 31.53 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.554 2.836 . . . . 0.0 112.817 -175.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -109.92 -15.89 13.97 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -84.89 138.02 32.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.15 -0.344 . . . . 0.0 110.206 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -87.52 -178.96 6.25 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.101 0.56 . . . . 0.0 110.259 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.52 170.14 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.084 0 C-N-CA 123.642 0.777 . . . . 0.0 111.947 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.55 148.0 30.18 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.988 0.515 . . . . 0.0 111.406 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.89 64.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -84.28 -12.29 54.94 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.995 0.361 . . . . 0.0 111.377 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.452 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.66 -1.59 13.98 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.62 128.77 38.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.71 1.6 58.88 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.791 -1.005 . . . . 0.0 113.412 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -119.11 -35.59 3.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.867 1.333 . . . . 0.0 111.87 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -85.2 139.02 31.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -157.36 149.02 22.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.294 -0.254 . . . . 0.0 110.778 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.0 mt -100.37 141.14 33.63 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.0 mt -115.89 -11.01 11.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.818 0.447 . . . . 0.0 111.828 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.76 143.85 23.68 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.08 124.22 28.55 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.28 44.19 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 122.576 0.35 . . . . 0.0 111.424 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -84.01 4.69 28.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.911 0.484 . . . . 0.0 111.072 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -121.95 13.09 10.55 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.064 0.945 . . . . 0.0 110.422 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.03 21.66 8.06 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.371 1.068 . . . . 0.0 113.328 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.03 147.31 24.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -128.8 12.23 6.24 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.626 0.77 . . . . 0.0 112.282 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.6 m -44.54 126.95 5.75 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.66 0.784 . . . . 0.0 111.795 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.2 tp -110.04 149.74 29.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.526 1.13 . . . . 0.0 109.479 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.7 t -139.23 137.02 35.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.164 -0.335 . . . . 0.0 110.346 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.83 124.88 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -102.46 141.55 35.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 45.62 58.53 4.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.88 148.98 15.78 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -135.24 165.29 25.77 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 123.851 0.861 . . . . 0.0 109.879 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.97 -15.12 27.94 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -78.52 -15.49 58.53 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.287 0.635 . . . . 0.0 111.467 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -81.17 -13.04 59.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.544 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.5 tttt -66.43 133.33 50.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.53 -151.82 23.7 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -138.77 152.49 47.96 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 123.015 0.526 . . . . 0.0 109.991 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -146.61 165.08 30.61 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -139.58 155.2 47.62 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.101 0.561 . . . . 0.0 111.646 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -87.95 154.59 20.39 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -131.69 130.18 41.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.831 0.287 . . . . 0.0 110.418 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.2 146.49 25.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.676 0.79 . . . . 0.0 110.526 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -144.55 117.04 8.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 172.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -148.79 116.81 6.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.63 -138.89 47.66 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.6 m -79.36 -6.19 56.23 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.815 0.307 . . . . 0.0 111.404 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -95.11 145.16 25.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.362 0.665 . . . . 0.0 112.134 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 148.59 36.61 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.409 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.6 t-105 -150.89 151.57 32.39 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.425 0.155 . . . . 0.0 110.711 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.97 131.18 53.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.995 0.518 . . . . 0.0 110.261 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.305 79.4 m-85 -84.12 62.57 7.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -174.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -140.4 159.97 41.01 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.6 m -66.22 151.86 46.09 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.475 0.31 . . . . 0.0 111.534 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -147.41 -168.53 3.08 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.719 0.808 . . . . 0.0 110.733 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -54.12 -38.14 65.1 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -134.61 13.4 3.74 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.923 0.489 . . . . 0.0 111.254 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 33.9 t80 -130.65 149.45 52.3 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -174.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -145.61 136.93 24.96 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.888 0.475 . . . . 0.0 110.72 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.6 t -158.36 157.05 31.62 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.118 0.567 . . . . 0.0 111.524 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.86 170.95 15.61 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.812 0.445 . . . . 0.0 111.013 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -136.25 169.37 17.75 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.001 0.92 . . . . 0.0 110.88 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.0 tp -100.53 127.79 46.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 t -106.44 143.32 34.72 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 172.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.39 140.4 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.094 0.558 . . . . 0.0 109.737 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.544 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.1 m-85 -129.35 146.59 51.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 14.7 t -135.55 143.25 37.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.989 0.515 . . . . 0.0 111.991 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -135.99 143.59 44.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.62 141.69 58.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.729 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.37 123.3 21.41 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.2 t -147.3 -19.62 0.39 Allowed 'General case' 0 CA--C 1.527 0.07 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -162.11 136.53 6.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.547 0.739 . . . . 0.0 109.046 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 64.52 -177.65 9.23 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 123.062 0.363 . . . . 0.0 112.837 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 79.1 p -161.14 152.35 18.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.917 0.887 . . . . 0.0 109.201 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.0 tt -78.37 -59.6 2.72 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.8 t 42.63 83.97 0.19 Allowed Pre-proline 0 CA--C 1.534 0.327 0 C-N-CA 124.937 1.295 . . . . 0.0 114.125 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.31 143.88 44.62 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.988 2.459 . . . . 0.0 110.716 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.105 -1.426 . . . . 0.0 112.312 178.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.72 150.41 47.32 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.371 0.268 . . . . 0.0 110.515 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.51 13.11 76.84 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.7 t0 55.73 67.09 1.06 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.022 0.929 . . . . 0.0 113.043 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -156.38 176.97 11.99 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.602 0.761 . . . . 0.0 110.304 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -137.33 166.57 23.49 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.01 0.924 . . . . 0.0 108.592 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 29.8 t80 -52.79 124.02 12.88 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -172.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.28 2.96 90.7 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.171 -0.794 . . . . 0.0 113.363 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -66.99 152.33 45.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.929 1.365 . . . . 0.0 108.498 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.0 -15.71 9.99 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.62 0.629 . . . . 0.0 113.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.76 118.93 24.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.176 0.988 . . . . 0.0 113.273 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -139.14 151.37 46.59 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.642 0.377 . . . . 0.0 110.193 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.6 148.51 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -130.5 127.5 39.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -156.85 156.27 4.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.53 0.732 . . . . 0.0 110.445 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -65.45 117.75 8.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.41 -16.63 62.97 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 tp -152.36 122.76 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.267 0.485 . . . . 0.0 110.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.89 149.12 22.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.61 141.43 41.26 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.92 153.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.82 0.448 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -85.92 156.18 20.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.103 0.478 . . . . 0.0 109.785 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.33 139.82 54.27 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.089 -0.382 . . . . 0.0 110.877 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.88 3.92 63.73 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.874 -0.959 . . . . 0.0 114.806 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.46 176.94 9.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.264 1.532 . . . . 0.0 111.948 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -91.74 164.73 13.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -170.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.18 155.15 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 173.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -119.99 140.76 50.45 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.402 0.681 . . . . 0.0 110.322 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -133.66 88.47 33.56 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.944 0.898 . . . . 0.0 111.335 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.08 142.93 43.27 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.361 2.707 . . . . 0.0 111.01 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.6 p -161.43 167.16 26.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.434 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.8 t -153.74 166.22 33.54 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.81 0.444 . . . . 0.0 110.698 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -140.66 169.98 16.62 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.4 t -145.6 147.69 32.32 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.046 0.938 . . . . 0.0 110.122 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -154.54 155.52 30.72 Favored Pre-proline 0 N--CA 1.454 -0.251 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -174.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.45 157.59 61.19 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.232 2.621 . . . . 0.0 110.346 174.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.9 tt0 -79.68 0.39 30.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.943 0.497 . . . . 0.0 111.663 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.69 129.12 39.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.26 5.48 69.98 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 119.253 -0.749 . . . . 0.0 113.912 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -153.82 166.92 31.39 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.773 1.286 . . . . 0.0 112.076 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.0 164.7 23.71 Favored 'General case' 0 CA--C 1.526 0.043 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -62.6 -10.84 13.56 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 t -98.57 -9.18 25.24 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.034 0.533 . . . . 0.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.51 148.07 85.35 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.1 166.89 28.31 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.688 2.925 . . . . 0.0 110.217 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.58 146.38 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.705 0.402 . . . . 0.0 110.703 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -149.18 164.76 33.82 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.194 1.397 . . . . 0.0 110.433 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.19 158.26 26.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -151.68 171.41 17.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 -175.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -136.98 148.59 46.99 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.016 1.327 . . . . 0.0 111.272 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -144.94 151.23 38.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.869 0.468 . . . . 0.0 110.464 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -72.77 145.86 46.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.5 136.18 56.68 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.93 -9.28 78.24 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-O 119.458 -0.634 . . . . 0.0 112.602 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -68.8 163.47 24.07 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -114.85 97.61 47.87 Favored Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 124.219 1.008 . . . . 0.0 108.322 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -56.66 -23.01 46.82 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 123.908 3.072 . . . . 0.0 114.749 -172.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.286 14.4 p90 -87.41 -3.03 59.01 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 116.723 2.12 . . . . 0.0 116.723 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -134.33 -24.59 1.59 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.354 0.262 . . . . 0.0 111.429 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -93.94 154.34 17.73 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.383 0.673 . . . . 0.0 111.728 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.38 145.52 55.69 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -71.9 155.03 58.29 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.129 2.553 . . . . 0.0 110.744 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.23 -15.41 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.63 152.19 17.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.693 0.797 . . . . 0.0 109.701 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -161.45 166.25 27.53 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.596 0.358 . . . . 0.0 111.482 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -119.74 -1.37 10.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.731 0.812 . . . . 0.0 111.371 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -75.99 124.23 88.39 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -69.0 -18.86 40.37 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.403 2.735 . . . . 0.0 112.764 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -94.17 -13.61 26.5 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -87.69 153.04 21.68 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.295 0.638 . . . . 0.0 110.756 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -115.96 177.61 4.62 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.517 0.727 . . . . 0.0 109.676 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -131.38 168.81 23.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -58.71 145.77 38.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.295 0.638 . . . . 0.0 110.803 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.25 -19.72 65.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -87.45 -4.36 59.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.956 0.344 . . . . 0.0 111.574 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -124.31 -6.66 7.64 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 176.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.26 132.08 52.79 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.83 0.348 . . . . 0.0 110.194 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.76 3.87 74.61 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.907 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -127.46 -35.15 2.19 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 118.422 1.111 . . . . 0.0 112.333 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -89.92 140.44 29.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 175.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -155.64 146.52 22.29 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 117.696 0.226 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.82 144.93 28.31 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.14 178.27 4.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.58 0.752 . . . . 0.0 109.864 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -151.14 36.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -141.07 130.04 23.2 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.61 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.136 0.575 . . . . 0.0 111.282 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -80.38 -4.65 54.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.291 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -107.13 10.63 30.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.02 0.928 . . . . 0.0 109.516 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 59.32 24.99 13.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.589 1.156 . . . . 0.0 113.147 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -83.08 143.02 30.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.1 p -122.64 10.93 9.76 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.281 0.633 . . . . 0.0 111.515 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -45.63 131.36 8.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.876 0.87 . . . . 0.0 112.292 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -116.56 149.17 40.07 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.974 0.91 . . . . 0.0 108.831 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 t -139.75 138.72 36.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.919 0.39 . . . . 0.0 110.103 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.9 137.57 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -124.75 140.9 52.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.506 0.722 . . . . 0.0 109.31 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.06 57.15 6.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.36 147.77 30.04 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -132.34 167.06 20.55 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.91 -17.08 55.46 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp85 -79.94 -14.09 58.87 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.023 0.374 . . . . 0.0 111.915 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.06 -15.45 58.89 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.552 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.6 tttt -64.65 130.87 45.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.773 0.429 . . . . 0.0 109.898 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.27 -151.63 23.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.7 m -138.56 154.68 48.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.203 0.601 . . . . 0.0 110.526 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -147.1 165.78 28.9 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.77 0.428 . . . . 0.0 110.075 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -140.77 157.47 45.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.392 0.677 . . . . 0.0 110.957 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -93.45 154.41 17.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -131.89 133.48 44.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.548 0.339 . . . . 0.0 110.382 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 tp -105.41 145.45 30.8 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.079 0.952 . . . . 0.0 110.306 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -149.49 119.86 7.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.046 0.539 . . . . 0.0 109.693 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -152.03 131.34 12.85 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.915 0.886 . . . . 0.0 108.616 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -140.56 47.11 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.0 m -79.94 -8.34 59.28 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.861 0.33 . . . . 0.0 111.379 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -91.69 144.33 25.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -144.37 149.84 36.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.562 1.145 . . . . 0.0 108.129 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -152.56 152.54 31.98 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.458 0.17 . . . . 0.0 110.814 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.85 130.65 53.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.171 0.588 . . . . 0.0 109.863 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 79.1 m-85 -85.22 61.63 6.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 -175.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -143.84 165.4 27.8 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.548 0.739 . . . . 0.0 109.604 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p -61.01 144.07 54.11 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.011 0.434 . . . . 0.0 111.136 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -147.13 -177.91 5.92 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.559 1.144 . . . . 0.0 110.601 -175.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.54 HD23 ' H ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -52.23 -36.32 52.01 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -170.046 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -134.38 20.55 3.67 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 118.314 0.506 . . . . 0.0 110.863 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -139.89 148.97 42.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 -172.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.25 143.75 29.41 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.327 0.251 . . . . 0.0 110.818 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.9 t -158.88 163.01 36.99 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.456 0.702 . . . . 0.0 111.353 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.485 ' HZ3' ' HB3' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -77.56 171.15 15.35 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.974 0.51 . . . . 0.0 110.882 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -139.16 166.16 25.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.224 1.01 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.38 125.59 46.66 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -104.41 143.24 33.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.0 t -128.61 141.38 46.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 122.857 0.463 . . . . 0.0 109.757 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.552 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -130.38 146.69 51.99 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.83 143.42 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.881 0.472 . . . . 0.0 111.641 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -136.32 142.81 43.9 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.89 141.39 58.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 120.41 15.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.1 t -145.27 -18.3 0.49 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -161.22 137.99 8.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.98 -175.13 10.97 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 123.242 0.448 . . . . 0.0 113.059 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.2 t -160.05 151.93 20.23 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.964 0.906 . . . . 0.0 109.273 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.6 tt -79.04 -54.46 5.99 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 119.627 -0.225 . . . . 0.0 111.343 -176.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.3 t 47.3 99.0 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.15 143.97 60.84 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.68 2.92 . . . . 0.0 111.971 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.245 -1.36 . . . . 0.0 110.089 -178.767 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -63.39 157.98 21.76 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 111.674 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.65 0.59 87.9 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.536 -0.591 . . . . 0.0 113.052 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -75.28 68.59 2.02 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 117.962 0.881 . . . . 0.0 111.519 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -157.17 175.25 14.29 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.073 0.949 . . . . 0.0 110.1 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -124.39 165.87 16.96 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.251 67.8 t80 -57.24 129.63 42.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 115.953 1.835 . . . . 0.0 115.953 -171.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 87.85 1.71 82.24 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.296 -0.725 . . . . 0.0 113.396 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.45 149.6 29.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.83 -16.22 7.1 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.861 0.743 . . . . 0.0 112.905 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -82.89 118.16 23.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.182 0.991 . . . . 0.0 113.243 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 mt -139.34 150.75 45.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.808 0.443 . . . . 0.0 110.134 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.68 146.53 28.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.752 0.421 . . . . 0.0 109.999 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.58 124.7 36.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.409 ' H ' ' HE3' ' A' ' 128' ' ' LYS . 10.6 p -155.62 156.92 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 110.746 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.76 118.21 9.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -67.3 -21.38 65.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.82 122.11 7.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.777 0.322 . . . . 0.0 110.213 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -117.2 148.71 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.418 1.087 . . . . 0.0 108.297 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.63 140.77 41.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.98 152.44 10.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 C-N-CA 122.725 0.41 . . . . 0.0 110.892 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -85.52 157.12 20.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -69.84 141.3 53.28 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.966 -0.459 . . . . 0.0 110.888 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 6.12 68.33 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 119.169 -0.795 . . . . 0.0 114.641 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.08 176.64 9.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.045 1.423 . . . . 0.0 111.497 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -91.85 167.32 12.23 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.44 154.55 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.439 1.096 . . . . 0.0 108.853 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -120.97 140.39 51.95 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 123.334 0.654 . . . . 0.0 109.781 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.67 88.88 32.3 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.95 142.59 43.05 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.045 2.496 . . . . 0.0 111.143 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.2 p -161.47 166.81 26.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.184 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.3 p -154.02 170.54 20.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.907 0.483 . . . . 0.0 110.861 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -141.41 172.15 13.08 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.85 145.98 28.91 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.932 0.893 . . . . 0.0 110.076 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -151.75 156.23 34.3 Favored Pre-proline 0 N--CA 1.454 -0.273 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -172.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -67.18 156.87 64.39 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.305 2.67 . . . . 0.0 109.828 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.5 tt0 -81.51 0.25 38.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.907 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -67.85 138.64 56.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.84 4.24 90.41 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.213 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -150.96 166.27 31.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.216 1.508 . . . . 0.0 112.723 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.18 164.57 23.12 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -61.69 -11.31 11.29 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -102.57 -4.44 25.25 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.09 0.556 . . . . 0.0 112.109 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 93.9 m-20 -77.14 141.36 66.98 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 44.7 Cg_exo -59.67 163.18 13.73 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.74 2.96 . . . . 0.0 111.866 173.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.47 146.85 17.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-O 120.934 0.397 . . . . 0.0 110.581 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -148.91 167.5 25.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.74 1.216 . . . . 0.0 110.296 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.01 158.24 27.35 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -150.37 168.73 23.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -175.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -133.52 148.66 51.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.67 1.188 . . . . 0.0 111.302 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -144.32 148.02 34.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -74.16 138.17 43.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.79 133.72 56.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.379 -177.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.31 -2.19 88.23 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.926 -0.93 . . . . 0.0 114.038 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -83.21 -172.32 4.07 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.242 1.521 . . . . 0.0 107.501 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -124.3 97.7 39.62 Favored Pre-proline 0 C--N 1.34 0.163 0 C-N-CA 122.646 0.378 . . . . 0.0 111.142 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -56.47 -19.66 30.05 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.64 2.893 . . . . 0.0 113.459 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -79.63 -13.37 59.55 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -134.63 -14.82 2.16 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -98.18 151.57 20.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.215 0.606 . . . . 0.0 111.914 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.17 151.38 83.69 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.45 152.01 54.14 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.965 2.443 . . . . 0.0 110.171 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -80.03 -16.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.54 149.95 11.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.263 1.025 . . . . 0.0 109.432 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 t -161.12 164.23 30.8 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -113.72 -1.26 14.02 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 111.043 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -79.93 121.14 81.82 Favored Pre-proline 0 N--CA 1.451 -0.389 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.26 -14.76 25.59 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.076 2.517 . . . . 0.0 111.589 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -91.13 3.01 55.9 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -133.23 131.41 40.28 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.161 0.505 . . . . 0.0 111.467 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 pm0 -83.01 -178.31 7.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.879 1.271 . . . . 0.0 110.745 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 m -126.54 172.88 13.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 123.788 0.835 . . . . 0.0 110.458 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -58.88 148.3 30.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.956 0.502 . . . . 0.0 111.429 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.41 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -83.99 -7.65 59.35 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.271 -0.268 . . . . 0.0 111.236 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.448 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -119.34 -1.25 10.81 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 177.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 131.52 50.94 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.15 59.94 Favored Glycine 0 CA--C 1.531 1.031 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.425 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -122.66 -35.89 2.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.481 1.14 . . . . 0.0 111.807 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -87.19 139.81 30.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -156.96 148.23 22.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -100.07 144.76 28.72 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 mt -119.78 178.17 4.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.664 0.785 . . . . 0.0 110.055 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.48 -152.09 37.13 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -139.6 130.41 26.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -28.71 44.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 122.935 0.494 . . . . 0.0 111.503 -177.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -79.89 -6.62 57.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.84 0.456 . . . . 0.0 111.065 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -105.63 11.96 31.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.964 0.906 . . . . 0.0 109.599 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 59.42 26.07 14.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.467 1.107 . . . . 0.0 113.15 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -82.54 147.56 28.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.25 11.2 6.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.519 0.728 . . . . 0.0 111.385 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.9 m -46.08 133.31 9.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.567 0.747 . . . . 0.0 112.02 -171.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -118.59 148.17 42.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.831 0.852 . . . . 0.0 109.201 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.5 t -138.65 136.68 36.15 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.303 -0.248 . . . . 0.0 110.43 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.62 124.81 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -102.25 140.88 35.94 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 46.53 56.77 6.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.82 13.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.53 158.96 38.53 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.714 0.806 . . . . 0.0 109.262 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -63.42 -10.71 18.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -78.72 -21.19 48.47 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.227 0.611 . . . . 0.0 111.119 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -73.36 -12.86 60.97 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.918 0.487 . . . . 0.0 111.938 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.569 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -63.92 129.73 41.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.83 -154.99 25.99 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 m -136.99 152.94 50.73 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.886 0.474 . . . . 0.0 109.8 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -147.52 165.23 30.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.0 156.5 46.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.315 0.646 . . . . 0.0 110.272 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -92.98 154.49 18.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -132.88 130.89 40.29 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 122.66 0.384 . . . . 0.0 110.423 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.1 tp -103.08 146.47 28.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.0 0.92 . . . . 0.0 110.377 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -150.15 119.91 7.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.4 ttm-85 -150.88 131.42 13.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.979 0.912 . . . . 0.0 108.585 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.34 -139.38 47.97 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -80.01 -12.64 59.69 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.481 -0.423 . . . . 0.0 111.139 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -86.96 144.2 27.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.511 0.724 . . . . 0.0 112.886 -175.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -144.85 150.12 36.56 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.796 1.238 . . . . 0.0 108.245 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 70.6 t-105 -152.25 154.0 34.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.478 0.18 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.4 t -123.57 129.71 51.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.045 0.538 . . . . 0.0 110.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.303 80.1 m-85 -84.43 63.07 7.61 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -174.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -142.9 160.17 40.84 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.264 0.626 . . . . 0.0 109.788 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m -65.87 153.07 42.98 Favored 'General case' 0 C--O 1.231 0.132 0 C-N-CA 122.669 0.387 . . . . 0.0 111.168 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -145.62 -166.38 2.43 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.463 0.705 . . . . 0.0 110.901 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.462 HD22 ' H ' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -47.27 -33.03 5.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.022 1.329 . . . . 0.0 112.992 -176.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -151.16 -15.84 0.21 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -75.08 149.37 39.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 173.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -144.86 135.28 24.31 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.615 0.245 . . . . 0.0 111.627 -173.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.9 t -159.79 158.44 31.14 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.383 0.673 . . . . 0.0 111.361 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.409 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 61.8 pttt -83.9 171.56 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.856 0.462 . . . . 0.0 110.985 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.33 170.61 15.75 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 124.154 0.981 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.5 131.4 46.43 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 t -111.25 142.58 43.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.98 139.06 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.569 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.8 m-85 -127.87 145.87 50.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.4 t -135.63 143.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -132.86 143.86 49.8 Favored 'General case' 0 CA--C 1.527 0.062 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.36 139.37 58.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.399 0.28 . . . . 0.0 110.83 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.23 123.26 21.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.3 t -145.03 -16.93 0.5 Allowed 'General case' 0 C--N 1.334 -0.08 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -160.68 138.45 9.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.74 -171.47 16.04 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 123.359 0.504 . . . . 0.0 113.534 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.0 t -159.04 148.34 18.7 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.411 1.084 . . . . 0.0 109.121 177.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.4 tt -78.66 -51.83 9.3 Favored 'General case' 0 C--O 1.227 -0.097 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.5 t 48.45 83.86 0.21 Allowed Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.65 166.05 30.77 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.737 2.958 . . . . 0.0 111.515 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 124.836 1.254 . . . . 0.0 111.517 177.24 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 tpp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.782 -0.081 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.18 154.57 37.65 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.93 9.26 62.64 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.6 t0 56.6 36.26 27.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.909 0.883 . . . . 0.0 112.464 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -155.29 -173.97 4.78 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.578 0.751 . . . . 0.0 109.677 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -138.57 166.15 25.06 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.254 0.622 . . . . 0.0 110.141 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.262 52.3 t80 -58.36 136.87 57.51 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 -173.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.05 7.45 88.45 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.586 -0.563 . . . . 0.0 112.756 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.82 142.49 45.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.273 1.037 . . . . 0.0 113.786 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.62 -15.35 36.54 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.712 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -84.93 118.46 24.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.667 1.234 . . . . 0.0 112.623 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -137.21 151.04 48.31 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 122.43 0.292 . . . . 0.0 110.582 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.42 147.91 29.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -128.33 126.37 40.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.002 0.521 . . . . 0.0 109.604 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -156.63 156.34 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 C-N-CA 123.49 0.716 . . . . 0.0 110.822 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.26 118.8 9.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -67.44 -20.84 65.55 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -174.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.1 tp -153.21 124.19 7.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.168 0.44 . . . . 0.0 110.34 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.05 147.45 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 139.63 39.65 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.4 155.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.036 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -84.55 157.76 21.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.82 142.81 48.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.44 7.49 65.13 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 119.056 -0.858 . . . . 0.0 114.971 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.66 176.92 9.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.008 1.404 . . . . 0.0 111.304 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -91.4 165.92 13.15 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -169.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.36 144.85 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 124.372 1.069 . . . . 0.0 109.281 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -108.13 142.46 38.29 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.457 0.703 . . . . 0.0 110.021 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -136.33 86.32 24.71 Favored Pre-proline 0 N--CA 1.455 -0.207 0 C-N-CA 123.864 0.866 . . . . 0.0 111.415 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.85 141.83 45.94 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.985 2.456 . . . . 0.0 111.033 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.8 p -161.39 166.87 26.71 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.339 0.256 . . . . 0.0 111.178 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.3 p -153.22 168.64 25.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.802 0.441 . . . . 0.0 111.289 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -138.4 168.97 18.63 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.9 t -147.9 147.29 29.57 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.527 0.731 . . . . 0.0 109.97 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -152.57 156.01 33.04 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.42 157.18 62.96 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.109 2.539 . . . . 0.0 110.27 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.48 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.5 tt0 -79.02 -1.11 34.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.321 0.648 . . . . 0.0 112.352 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.74 129.5 40.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.14 7.35 73.63 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.152 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.48 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -153.83 167.91 28.08 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.933 1.367 . . . . 0.0 112.472 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.33 168.85 18.14 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.12 -10.92 16.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -97.34 -14.12 21.48 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.026 0.53 . . . . 0.0 111.354 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.01 145.78 86.68 Favored Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.14 164.6 35.14 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.913 3.076 . . . . 0.0 110.534 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -142.47 144.67 24.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.35 168.16 24.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.387 1.075 . . . . 0.0 110.924 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.46 158.04 27.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -150.96 171.01 17.95 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -136.91 149.25 47.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.824 1.25 . . . . 0.0 111.474 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -146.1 153.4 40.65 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -76.0 146.4 39.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.18 134.26 55.75 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.95 -8.96 77.59 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.622 -0.543 . . . . 0.0 112.73 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -70.61 164.23 25.34 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -106.51 105.92 56.01 Favored Pre-proline 0 CA--C 1.53 0.192 0 C-N-CA 123.803 0.841 . . . . 0.0 108.995 175.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.14 -4.85 3.31 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.62 2.88 . . . . 0.0 113.589 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.259 9.3 p90 -120.08 -0.97 10.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -134.32 -10.08 2.54 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.818 0.447 . . . . 0.0 111.54 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.58 152.31 40.55 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.46 149.56 81.52 Favored Pre-proline 0 N--CA 1.451 -0.391 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.86 154.22 58.57 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.476 2.784 . . . . 0.0 110.145 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -83.42 -16.64 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.84 153.68 19.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.057 0.943 . . . . 0.0 109.502 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.77 164.28 29.01 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.579 0.352 . . . . 0.0 111.382 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -115.86 -2.91 12.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.589 0.755 . . . . 0.0 110.903 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -75.22 122.8 88.12 Favored Pre-proline 0 N--CA 1.454 -0.227 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -71.24 -18.16 30.55 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.352 2.702 . . . . 0.0 112.636 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -92.12 -17.64 24.67 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -87.8 151.57 22.77 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.118 0.567 . . . . 0.0 110.683 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -116.12 177.13 4.79 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.294 0.638 . . . . 0.0 109.651 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.7 172.06 15.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.44 148.87 26.63 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.42 0.688 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.85 -22.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -83.07 -12.72 56.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.001 0.364 . . . . 0.0 111.433 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -114.88 -1.8 13.07 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 129.78 42.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.24 2.63 63.2 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.176 -0.791 . . . . 0.0 113.121 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -122.12 -32.58 3.66 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.294 1.047 . . . . 0.0 112.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.409 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.7 m-85 -97.19 136.85 37.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 175.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.53 154.37 30.2 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 120.511 0.196 . . . . 0.0 110.807 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.0 mt -106.03 145.18 31.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.465 0.306 . . . . 0.0 110.531 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.5 mt -121.82 174.39 6.89 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.385 1.074 . . . . 0.0 110.356 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 171.53 42.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -86.56 123.39 31.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.4 pt -69.08 -21.16 25.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 122.556 0.342 . . . . 0.0 111.236 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -84.41 -12.61 54.09 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.059 0.391 . . . . 0.0 110.871 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.3 t -94.48 11.74 29.75 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.656 0.782 . . . . 0.0 109.891 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 59.47 28.42 17.8 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.135 0.974 . . . . 0.0 112.691 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -78.88 143.08 36.25 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 174.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.6 p -129.19 9.65 5.71 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 111.38 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.1 m -45.02 115.61 0.93 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.272 1.029 . . . . 0.0 111.705 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.5 tp -90.65 144.04 26.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.7 t -134.09 134.83 42.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 68.3 mt -115.1 140.05 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 -122.94 142.42 50.84 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.746 0.819 . . . . 0.0 109.919 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 47.05 55.41 8.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 149.92 13.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -133.83 164.77 26.5 Favored 'General case' 0 CA--C 1.523 -0.06 0 C-N-CA 123.703 0.801 . . . . 0.0 109.683 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.57 -19.64 50.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -75.9 -14.78 60.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.672 0.389 . . . . 0.0 112.019 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.19 -13.56 59.62 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.2 tttt -66.11 134.48 52.89 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.072 0.549 . . . . 0.0 109.636 177.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.66 -149.82 21.82 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.9 m -138.32 153.17 49.01 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.166 0.587 . . . . 0.0 110.273 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -144.93 165.1 29.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.07 0.462 . . . . 0.0 109.947 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -140.38 156.96 46.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.251 28.6 t80 -94.69 154.62 17.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -131.28 133.76 45.73 Favored 'General case' 0 N--CA 1.458 -0.041 0 C-N-CA 122.657 0.383 . . . . 0.0 110.252 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.5 tp -103.67 147.34 27.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.679 0.791 . . . . 0.0 110.574 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.8 117.34 7.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -148.97 122.1 8.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.77 -138.33 47.2 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -81.62 -3.97 54.85 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 122.636 -0.332 . . . . 0.0 111.477 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -96.99 143.94 27.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.131 0.573 . . . . 0.0 112.258 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.55 146.2 34.39 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.512 1.125 . . . . 0.0 108.045 175.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -150.64 156.07 40.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.518 0.145 . . . . 0.0 111.057 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -125.13 131.67 53.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.078 0.551 . . . . 0.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.293 77.5 m-85 -86.81 60.89 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -173.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -141.26 155.72 45.97 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.5 m -65.91 154.19 39.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.456 0.303 . . . . 0.0 111.729 -176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -146.4 -166.28 2.44 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.76 0.824 . . . . 0.0 110.086 -175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -47.56 -34.89 8.26 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.289 1.036 . . . . 0.0 113.737 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -138.87 -21.69 0.97 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.942 0.497 . . . . 0.0 111.978 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -77.26 149.95 35.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -145.7 131.32 18.86 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-O 121.153 0.501 . . . . 0.0 111.076 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.1 t -158.12 146.51 18.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.127 0.971 . . . . 0.0 109.874 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -71.24 168.61 16.92 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.257 0.623 . . . . 0.0 111.045 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -133.01 170.24 15.67 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.216 1.006 . . . . 0.0 111.218 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.0 tp -100.61 126.36 47.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.5 t -105.22 142.91 34.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 68.1 t -128.06 141.37 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.1 m-85 -130.07 147.01 51.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.07 143.67 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 122.935 0.494 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -131.74 143.22 50.08 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.77 141.3 58.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.714 0.292 . . . . 0.0 110.554 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -71.57 114.42 9.63 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.43 0.292 . . . . 0.0 110.54 -177.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -150.09 11.42 0.72 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -133.11 15.08 4.21 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.587 0.755 . . . . 0.0 110.644 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 82.52 163.04 32.48 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -173.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 80.6 p -67.78 146.05 54.1 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.951 0.405 . . . . 0.0 111.165 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.2 tt -83.36 -47.29 11.61 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.819 0.448 . . . . 0.0 110.642 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 3.0 t 49.15 79.06 0.36 Allowed Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.3 162.86 40.37 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.302 2.668 . . . . 0.0 110.953 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.417 -1.277 . . . . 0.0 111.05 179.266 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.211 0.078 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -74.8 151.71 39.05 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.166 -0.334 . . . . 0.0 110.512 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.01 -0.16 39.76 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.649 -0.529 . . . . 0.0 112.944 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -76.06 -2.03 28.79 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -156.7 169.94 23.55 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.511 0.724 . . . . 0.0 110.104 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -134.82 166.12 23.7 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.5 0.72 . . . . 0.0 109.169 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -56.1 127.39 30.35 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -171.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 91.3 0.21 73.97 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.578 -0.568 . . . . 0.0 113.409 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -59.99 148.67 34.53 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 174.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.25 -15.16 9.35 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.789 0.709 . . . . 0.0 112.83 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.84 113.72 19.97 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -136.27 150.82 49.1 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.514 0.326 . . . . 0.0 110.549 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -148.46 147.45 29.15 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -128.5 126.61 40.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -157.72 156.07 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.485 0.714 . . . . 0.0 110.731 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -65.72 116.4 6.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -69.9 -16.01 63.16 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.44 123.32 7.46 Favored 'General case' 0 C--N 1.337 0.053 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.71 147.65 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.58 141.24 45.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 177.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -153.52 155.13 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 122.48 0.312 . . . . 0.0 111.195 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -87.15 155.96 19.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.911 -0.493 . . . . 0.0 109.856 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -67.85 143.06 55.92 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.993 -0.442 . . . . 0.0 110.988 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.62 6.05 68.34 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.706 -1.052 . . . . 0.0 115.071 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.13 173.15 12.45 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.533 1.666 . . . . 0.0 111.863 176.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -91.84 166.61 12.65 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -171.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.73 157.03 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.514 1.126 . . . . 0.0 109.076 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -120.1 140.51 50.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.697 0.799 . . . . 0.0 110.341 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.99 90.17 27.33 Favored Pre-proline 0 CA--C 1.53 0.173 0 C-N-CA 124.006 0.922 . . . . 0.0 111.175 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.67 143.42 46.42 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.207 2.605 . . . . 0.0 111.553 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.3 p -161.88 166.85 25.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.532 0.206 . . . . 0.0 111.307 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -152.78 168.85 24.35 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.856 0.462 . . . . 0.0 111.19 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -139.44 170.5 15.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -148.04 148.52 30.77 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 109.943 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -152.49 155.8 33.02 Favored Pre-proline 0 CA--C 1.53 0.197 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -173.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 156.78 64.77 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.993 2.462 . . . . 0.0 109.931 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.8 tt0 -81.22 -1.13 43.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.941 0.496 . . . . 0.0 112.017 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -67.12 137.79 56.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.81 4.18 90.39 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.379 -0.679 . . . . 0.0 114.382 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.86 166.2 32.17 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 118.837 1.318 . . . . 0.0 112.086 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.64 163.64 24.63 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -64.07 -20.28 65.82 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -82.99 -15.79 49.79 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.806 0.442 . . . . 0.0 111.613 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -72.43 146.83 89.47 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -71.36 159.73 50.81 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.672 2.915 . . . . 0.0 109.983 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -140.53 146.42 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.767 0.427 . . . . 0.0 110.406 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -149.12 168.46 23.15 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.83 1.252 . . . . 0.0 110.194 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.81 158.43 27.66 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -149.97 174.94 12.15 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -136.33 149.05 48.21 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 124.224 1.009 . . . . 0.0 111.36 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.3 150.54 40.97 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.21 135.32 37.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 136.45 56.91 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.692 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.54 -5.83 83.74 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.043 -0.865 . . . . 0.0 113.641 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -84.59 -170.81 3.3 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.056 1.428 . . . . 0.0 107.649 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -135.19 110.95 10.81 Favored Pre-proline 0 CA--C 1.531 0.217 0 C-N-CA 122.914 0.485 . . . . 0.0 110.739 176.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.32 -19.7 36.23 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 124.209 3.273 . . . . 0.0 113.435 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.267 16.2 p90 -77.92 -5.84 52.38 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -134.34 -26.19 1.47 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.347 0.259 . . . . 0.0 111.221 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -101.88 152.06 21.35 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.72 152.26 82.9 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 122.645 0.378 . . . . 0.0 109.987 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.83 153.94 58.72 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 123.096 2.531 . . . . 0.0 110.581 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.87 -14.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.078 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.19 154.63 19.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.442 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 t -160.08 164.58 32.97 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -118.5 -2.99 10.94 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.689 0.796 . . . . 0.0 110.641 174.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -80.09 122.27 82.85 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 123.581 0.752 . . . . 0.0 109.144 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -72.25 -18.42 26.78 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.195 2.597 . . . . 0.0 111.729 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -85.67 -1.33 57.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.54 156.26 41.1 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.415 0.686 . . . . 0.0 112.028 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -111.82 -178.74 3.51 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.972 0.909 . . . . 0.0 110.663 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.31 173.59 13.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 123.816 0.847 . . . . 0.0 112.158 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -58.82 146.72 36.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.159 0.584 . . . . 0.0 110.958 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.7 65.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.889 -175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.8 -9.34 56.05 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 118.299 0.5 . . . . 0.0 111.366 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.97 -10.43 12.9 Favored 'General case' 0 C--O 1.227 -0.087 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -61.43 134.51 56.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.88 0.372 . . . . 0.0 110.04 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.38 2.89 85.24 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.818 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 mtm105 -131.45 -41.18 1.09 Allowed 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.395 1.098 . . . . 0.0 112.226 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -84.68 137.08 33.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -155.65 149.21 25.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.52 0.2 . . . . 0.0 110.735 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.0 mt -102.0 144.52 30.5 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.858 -0.155 . . . . 0.0 110.669 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.6 mt -119.97 173.19 7.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.783 0.833 . . . . 0.0 110.599 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.9 174.74 43.04 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.33 123.55 34.18 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.7 pt -68.92 -22.39 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 122.568 0.347 . . . . 0.0 110.957 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -82.6 -13.13 57.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.128 0.422 . . . . 0.0 110.867 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 t -94.77 12.6 27.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.476 0.71 . . . . 0.0 109.83 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 60.19 27.33 16.81 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.123 0.969 . . . . 0.0 112.95 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -78.3 143.54 36.89 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.2 p -127.89 10.0 6.43 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.961 0.504 . . . . 0.0 111.32 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -44.73 133.18 6.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.759 0.824 . . . . 0.0 111.599 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -116.77 146.47 42.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.613 0.765 . . . . 0.0 109.051 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -135.01 134.45 40.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.42 133.48 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -113.27 143.96 43.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.146 0.579 . . . . 0.0 109.812 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 46.88 53.12 10.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.92 25.0 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.661 0.267 . . . . 0.0 111.675 -173.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -118.67 162.63 18.1 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.847 0.859 . . . . 0.0 109.232 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.23 -22.04 66.61 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.13 -0.356 . . . . 0.0 111.332 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -82.32 -13.86 56.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.732 0.413 . . . . 0.0 111.496 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.16 -10.83 60.3 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.579 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.4 tttt -63.89 134.27 54.84 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.985 0.914 . . . . 0.0 109.124 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.03 -150.01 21.56 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.4 m -141.96 156.4 45.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.044 0.538 . . . . 0.0 110.429 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -148.61 167.24 25.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -174.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -145.01 158.02 43.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 30.5 t80 -92.92 154.19 18.34 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -129.8 134.41 47.55 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.631 0.373 . . . . 0.0 110.242 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.0 tp -106.86 145.14 32.52 Favored 'General case' 0 C--O 1.227 -0.088 0 C-N-CA 124.0 0.92 . . . . 0.0 110.509 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -150.21 119.6 6.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.033 0.533 . . . . 0.0 109.823 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -153.75 131.51 11.56 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.26 47.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 m -84.36 -0.16 51.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 117.032 0.416 . . . . 0.0 111.427 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -96.98 139.16 33.42 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.211 0.604 . . . . 0.0 112.036 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -142.79 142.62 31.92 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.732 1.213 . . . . 0.0 109.121 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.42 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.5 t-105 -152.97 154.96 36.05 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.3 p -128.61 132.78 48.17 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.958 0.503 . . . . 0.0 110.018 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.285 80.8 m-85 -82.79 63.81 7.09 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -140.66 161.04 38.7 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.397 0.679 . . . . 0.0 109.364 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.7 p -62.5 152.14 35.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.571 0.349 . . . . 0.0 111.554 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -147.18 -167.35 2.75 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.304 1.042 . . . . 0.0 110.633 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.581 HD23 ' H ' ' A' ' 123' ' ' LEU . 1.3 mm? -60.39 -34.99 74.7 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.691 0.796 . . . . 0.0 112.391 -173.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -136.25 5.45 3.0 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.13 0.572 . . . . 0.0 110.816 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.282 17.7 t80 -124.4 147.5 48.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -174.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -146.33 143.13 28.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.675 0.274 . . . . 0.0 110.69 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.1 t -157.56 162.25 38.78 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.235 0.614 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.505 ' HB3' ' HZ1' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -77.96 170.0 17.34 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.046 0.539 . . . . 0.0 110.996 -179.113 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -140.12 167.28 22.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.762 0.825 . . . . 0.0 110.199 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.3 tp -100.48 127.15 46.91 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.4 t -105.96 142.53 35.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.0 t -126.0 136.32 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.763 0.425 . . . . 0.0 109.964 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.579 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.8 m-85 -125.0 147.35 48.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.1 t -135.98 143.36 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.68 146.06 49.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.4 140.31 58.86 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.082 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -71.54 123.97 23.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 11.3 t -147.74 -25.53 0.36 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -153.54 138.49 17.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.528 1.131 . . . . 0.0 109.537 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 62.51 -174.08 8.33 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-O 121.148 0.304 . . . . 0.0 113.407 177.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 85.3 p -160.03 154.47 23.8 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.023 0.929 . . . . 0.0 108.938 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 tt -79.62 -52.52 7.88 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 122.328 -0.232 . . . . 0.0 111.257 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.3 t 59.81 127.75 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -70.26 154.54 65.68 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.781 2.321 . . . . 0.0 110.603 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 117.149 -1.405 . . . . 0.0 110.598 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pm0 -66.11 152.95 43.62 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.784 0.433 . . . . 0.0 110.598 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.54 1.19 88.33 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.416 0.532 . . . . 0.0 112.788 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -68.29 -6.38 23.64 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -159.28 168.28 26.83 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 123.448 0.699 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -103.15 163.8 12.01 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 59.6 t80 -60.55 133.55 56.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 115.859 1.799 . . . . 0.0 115.859 -173.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.61 7.03 88.28 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 119.784 -0.453 . . . . 0.0 113.344 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.0 147.24 53.83 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.359 1.079 . . . . 0.0 111.155 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 -16.44 18.53 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.102 0.858 . . . . 0.0 113.048 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.65 116.1 21.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.314 1.057 . . . . 0.0 112.438 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.8 mt -137.14 151.99 49.45 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 122.885 0.474 . . . . 0.0 110.472 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -148.53 147.84 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -129.94 127.37 39.95 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -157.69 156.26 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.163 0.585 . . . . 0.0 110.517 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.45 118.6 9.65 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -70.69 -17.53 62.84 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -174.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -152.24 123.07 7.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.097 0.408 . . . . 0.0 110.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.74 148.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 124.482 1.113 . . . . 0.0 108.183 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.87 140.83 42.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 177.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -152.65 153.77 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.852 0.461 . . . . 0.0 110.869 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -86.68 156.22 20.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.0 140.27 55.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.139 -0.35 . . . . 0.0 110.409 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.02 6.09 65.44 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.626 -1.096 . . . . 0.0 114.754 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.05 174.58 10.92 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.294 1.547 . . . . 0.0 111.498 176.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -91.96 167.77 11.88 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.87 154.89 6.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 124.642 1.177 . . . . 0.0 109.404 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -118.78 141.12 48.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.391 0.677 . . . . 0.0 110.06 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.8 t -134.59 88.78 28.01 Favored Pre-proline 0 N--CA 1.458 -0.074 0 C-N-CA 123.731 0.812 . . . . 0.0 110.923 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.6 141.14 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 122.962 2.441 . . . . 0.0 111.302 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 p -161.63 166.49 26.75 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.767 0.318 . . . . 0.0 111.35 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.5 p -153.64 168.2 27.02 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -137.98 170.26 16.36 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.9 t -147.61 149.79 33.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.795 0.838 . . . . 0.0 110.059 177.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -152.84 155.96 32.62 Favored Pre-proline 0 C--O 1.234 0.239 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.78 159.92 51.75 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.24 2.626 . . . . 0.0 109.986 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.479 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.5 tt0 -77.62 -0.82 28.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.899 0.48 . . . . 0.0 112.036 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.58 126.24 28.7 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.41 68.39 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.097 -0.835 . . . . 0.0 114.323 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.479 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -151.3 167.55 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.951 1.376 . . . . 0.0 112.532 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.29 165.85 20.61 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.89 -7.54 5.33 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 115.219 1.562 . . . . 0.0 115.219 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -109.72 -3.84 16.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.76 0.424 . . . . 0.0 111.934 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.0 146.01 84.41 Favored Pre-proline 0 N--CA 1.454 -0.275 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.07 159.95 48.74 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.705 2.937 . . . . 0.0 110.04 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.83 141.62 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.67 0.388 . . . . 0.0 110.311 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -149.25 170.54 18.24 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 124.524 1.13 . . . . 0.0 110.493 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.71 162.84 28.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -151.68 175.41 12.41 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -174.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -136.72 150.53 48.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.322 1.049 . . . . 0.0 111.812 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.84 153.05 41.2 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -75.19 136.72 41.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.08 134.43 55.84 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.044 0.45 . . . . 0.0 110.736 -175.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.75 -4.8 85.98 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-O 119.003 -0.887 . . . . 0.0 114.055 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -84.32 -178.14 6.84 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.172 1.486 . . . . 0.0 108.439 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -110.64 108.48 58.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.45 -12.69 22.77 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.648 2.899 . . . . 0.0 113.19 -171.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.294 15.5 p90 -96.79 1.79 51.16 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -134.38 12.69 3.83 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -153.13 162.23 41.55 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.41 151.21 85.31 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.269 0.628 . . . . 0.0 111.151 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.96 158.02 46.52 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.444 2.763 . . . . 0.0 110.456 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -84.79 -15.16 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.98 155.29 23.08 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.098 0.959 . . . . 0.0 109.617 175.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -161.17 165.96 28.63 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-O 120.85 0.357 . . . . 0.0 111.624 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -121.27 0.33 10.05 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.602 0.761 . . . . 0.0 110.807 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -75.65 126.47 87.29 Favored Pre-proline 0 N--CA 1.451 -0.417 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.91 -18.14 41.21 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.548 2.832 . . . . 0.0 112.876 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.56 -15.23 18.7 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -85.48 152.36 23.25 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.046 0.538 . . . . 0.0 110.998 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -116.12 176.98 4.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.338 0.655 . . . . 0.0 109.54 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.08 172.45 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -58.52 146.82 34.18 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.072 0.549 . . . . 0.0 111.079 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.24 65.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.586 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -82.1 -8.4 59.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.94 0.337 . . . . 0.0 110.993 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 p -123.59 -0.65 8.61 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -61.14 128.91 38.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.31 2.58 59.58 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 119.444 -0.642 . . . . 0.0 113.342 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -121.63 -29.64 4.34 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.506 1.153 . . . . 0.0 112.122 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -97.75 138.63 34.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.8 153.47 28.36 Favored 'General case' 0 N--CA 1.458 -0.067 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -108.41 145.07 35.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.483 0.313 . . . . 0.0 110.256 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.51 168.84 10.3 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.065 0.946 . . . . 0.0 110.301 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.53 174.57 46.41 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.35 138.7 31.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.32 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 C-N-CA 122.563 0.345 . . . . 0.0 110.985 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -83.22 -13.2 55.83 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.842 0.457 . . . . 0.0 111.332 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.4 t -91.76 7.56 41.17 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.214 0.605 . . . . 0.0 110.556 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 57.91 27.75 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.044 0.937 . . . . 0.0 112.453 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -78.52 142.78 37.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -127.87 8.38 6.25 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.083 0.553 . . . . 0.0 111.523 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -44.43 116.99 1.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.172 0.989 . . . . 0.0 111.653 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.3 tp -95.04 145.99 24.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.358 0.663 . . . . 0.0 109.598 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -134.87 133.52 39.77 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.87 132.28 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -113.76 140.93 47.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.767 0.827 . . . . 0.0 109.873 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 47.37 56.19 7.27 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.09 149.93 18.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -135.09 163.57 29.61 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.796 0.838 . . . . 0.0 109.608 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.57 -21.46 60.35 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -80.19 -12.77 59.61 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -75.93 -12.04 60.07 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.13 -0.356 . . . . 0.0 110.901 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.59 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -64.99 132.29 48.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.142 0.577 . . . . 0.0 109.481 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.87 -149.58 21.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.3 m -141.29 154.38 45.7 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.956 0.502 . . . . 0.0 110.936 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -147.77 167.41 24.77 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -144.52 160.23 41.46 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -94.82 154.41 17.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.96 135.06 47.88 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.764 0.425 . . . . 0.0 110.584 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.99 145.37 31.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.418 1.087 . . . . 0.0 110.37 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -150.59 120.13 6.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -153.6 130.33 10.82 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.87 -139.86 45.15 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.5 m -81.5 -4.71 56.7 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.356 -0.496 . . . . 0.0 111.55 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.0 ttp -88.89 139.02 30.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.705 0.802 . . . . 0.0 112.22 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 146.46 34.06 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 173.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -156.27 151.16 26.15 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.805 0.275 . . . . 0.0 110.821 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.5 m -121.5 129.25 52.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.086 0.554 . . . . 0.0 110.022 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.284 76.4 m-85 -82.73 64.94 7.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.16 159.07 42.98 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.591 0.356 . . . . 0.0 110.128 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.4 p -63.85 153.29 37.2 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.121 0.486 . . . . 0.0 111.92 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -143.9 -165.89 2.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.661 1.184 . . . . 0.0 110.366 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.579 HD23 ' H ' ' A' ' 123' ' ' LEU . 1.9 mm? -52.71 -26.19 13.29 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.632 1.173 . . . . 0.0 112.273 -174.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -154.2 -25.95 0.13 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.32 0.648 . . . . 0.0 111.982 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -74.73 148.5 40.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 173.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -146.35 154.03 41.2 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.136 0.493 . . . . 0.0 111.153 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -164.63 153.18 12.57 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.488 ' HB3' ' HZ2' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -70.54 169.57 13.92 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.152 0.501 . . . . 0.0 110.888 179.595 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -137.0 166.52 23.47 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.889 0.875 . . . . 0.0 110.739 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.59 126.34 47.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.453 0.701 . . . . 0.0 109.401 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.7 t -105.25 143.14 33.84 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -127.99 140.59 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 122.852 0.461 . . . . 0.0 109.923 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.59 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.2 m-85 -129.05 148.29 50.99 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.004 0.522 . . . . 0.0 111.759 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -135.46 143.99 46.19 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 105.486 -2.042 . . . . 0.0 105.486 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.18 139.67 58.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.12 123.35 21.94 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -145.23 -20.57 0.49 Allowed 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -161.53 141.71 10.62 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.539 0.736 . . . . 0.0 109.451 175.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.9 -177.34 8.38 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.172 0.415 . . . . 0.0 113.05 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.1 p -162.32 155.96 20.85 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 124.199 1.0 . . . . 0.0 109.474 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.5 tt -79.07 -59.25 2.85 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.219 -0.301 . . . . 0.0 111.26 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 49.81 99.95 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.74 143.28 70.85 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.712 2.941 . . . . 0.0 112.102 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 117.279 -1.343 . . . . 0.0 110.29 -178.841 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.506 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 42.2 tp10 -67.23 144.72 55.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.504 0.322 . . . . 0.0 110.624 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.13 -8.3 58.35 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.939 -0.367 . . . . 0.0 113.172 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.506 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 72.2 m-20 -74.06 -3.89 32.19 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -155.11 -178.63 7.39 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 123.227 0.611 . . . . 0.0 110.053 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -145.68 166.05 26.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.662 0.785 . . . . 0.0 109.503 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.275 45.9 t80 -55.18 139.26 42.59 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -173.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 78.73 4.78 88.25 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.19 -178.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.27 143.56 52.46 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.241 1.021 . . . . 0.0 113.188 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.67 -15.03 54.07 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 123.839 0.733 . . . . 0.0 112.725 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -86.33 119.77 26.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.034 0.917 . . . . 0.0 112.479 174.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -136.08 158.6 44.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.667 0.27 . . . . 0.0 110.678 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -144.58 147.49 33.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.699 0.8 . . . . 0.0 109.687 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -131.64 114.08 14.37 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -154.16 153.83 7.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 123.018 0.527 . . . . 0.0 110.663 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -66.7 118.65 10.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.92 -18.14 64.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.52 125.56 7.89 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.328 0.513 . . . . 0.0 110.14 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.39 150.69 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.58 142.89 43.39 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 177.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.24 155.74 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.916 0.486 . . . . 0.0 110.969 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -90.07 154.81 19.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.21 142.86 56.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.195 -0.315 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.24 3.85 72.07 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.911 -0.938 . . . . 0.0 114.946 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.6 176.07 9.89 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.259 1.53 . . . . 0.0 111.878 176.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -91.58 170.11 10.2 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -169.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.52 154.74 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 124.59 1.156 . . . . 0.0 108.936 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -119.91 139.44 52.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.225 0.61 . . . . 0.0 109.729 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.7 t -134.08 89.79 27.89 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.004 0.922 . . . . 0.0 111.228 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.8 143.59 46.24 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.148 2.565 . . . . 0.0 110.822 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 p -161.1 167.0 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 111.005 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.0 t -152.59 169.47 22.59 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.387 0.675 . . . . 0.0 110.404 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.46 169.97 16.67 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -146.3 149.5 33.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.413 ' CD2' ' HE2' ' A' ' 115' ' ' MET . 8.4 p90 -153.52 156.39 32.31 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -172.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.32 157.78 60.37 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.357 2.705 . . . . 0.0 109.805 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -82.19 -2.31 51.87 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -70.05 133.62 47.4 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.67 2.12 79.43 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.242 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -148.88 163.95 35.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.15 1.475 . . . . 0.0 112.461 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.72 166.58 17.88 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 176.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -64.53 -19.58 65.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -88.36 -9.9 51.16 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.779 0.432 . . . . 0.0 112.129 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -76.58 147.74 78.89 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.59 160.62 47.8 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.776 2.984 . . . . 0.0 110.267 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.74 146.08 21.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -147.79 164.66 32.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.571 1.149 . . . . 0.0 109.891 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.84 155.15 24.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -148.28 169.96 18.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -137.47 147.09 45.03 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.458 1.103 . . . . 0.0 111.365 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -144.57 151.83 39.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.82 0.448 . . . . 0.0 111.662 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -70.86 145.64 50.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.45 136.44 53.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.096 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.21 -7.58 81.76 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-O 119.4 -0.667 . . . . 0.0 112.749 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -69.55 164.63 22.79 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -113.81 97.52 44.75 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -57.23 -23.62 54.85 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 123.746 2.964 . . . . 0.0 114.449 -171.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.281 15.1 p90 -87.44 -2.29 58.52 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 116.898 2.184 . . . . 0.0 116.898 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -134.46 -26.67 1.41 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.495 0.318 . . . . 0.0 111.536 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -89.22 158.39 17.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.399 0.68 . . . . 0.0 111.855 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.89 145.14 49.27 Favored Pre-proline 0 C--O 1.233 0.23 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.09 155.41 52.35 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.013 2.475 . . . . 0.0 110.019 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 122.247 -0.283 . . . . 0.0 111.395 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.55 152.42 12.06 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.301 1.04 . . . . 0.0 108.85 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.5 t -161.73 154.91 20.86 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.847 -0.533 . . . . 0.0 112.374 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -92.02 -10.86 37.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.635 0.774 . . . . 0.0 111.023 173.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -71.96 121.94 85.94 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.14 -18.01 27.51 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.476 2.784 . . . . 0.0 112.479 -176.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -99.2 -14.76 19.17 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -92.46 134.98 34.44 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.647 0.379 . . . . 0.0 110.274 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -84.27 -179.67 7.25 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.922 0.489 . . . . 0.0 110.25 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.73 173.15 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 123.316 0.647 . . . . 0.0 111.803 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.64 144.3 43.61 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.564 0.346 . . . . 0.0 111.002 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.04 66.26 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.16 -9.12 58.82 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.019 0.372 . . . . 0.0 111.403 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.427 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -115.23 0.38 13.5 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.16 123.58 17.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.42 -4.71 32.72 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.088 -0.84 . . . . 0.0 113.82 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mtm105 -107.67 -30.17 8.72 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.786 1.293 . . . . 0.0 111.83 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.427 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -93.54 142.35 27.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.66 147.42 21.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 mt -102.18 144.4 30.77 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.8 mt -118.23 176.53 5.18 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.853 0.861 . . . . 0.0 110.233 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.23 -150.11 33.22 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -140.88 130.29 23.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -29.73 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.936 0.495 . . . . 0.0 111.496 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -79.92 -4.07 50.83 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.794 0.438 . . . . 0.0 110.645 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -109.69 13.84 23.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.284 1.034 . . . . 0.0 110.02 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 59.09 21.64 9.63 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.49 1.116 . . . . 0.0 113.537 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -82.95 141.99 31.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.01 11.52 8.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.044 0.537 . . . . 0.0 111.883 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.5 m -45.19 134.43 6.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.491 0.716 . . . . 0.0 112.174 -171.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.6 tp -118.1 149.02 41.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.027 0.931 . . . . 0.0 109.072 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -139.78 135.41 33.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 122.501 0.32 . . . . 0.0 110.4 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.19 132.27 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -112.7 141.82 46.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.35 0.66 . . . . 0.0 109.589 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 48.03 55.02 9.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.65 150.07 16.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 112.004 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -135.0 164.01 28.59 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.238 1.015 . . . . 0.0 109.553 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.18 -20.19 57.5 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.9 -17.96 58.61 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.018 0.372 . . . . 0.0 111.886 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -72.72 -13.11 61.26 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.576 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.1 tttt -65.88 128.88 37.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 109.7 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.82 -151.14 22.68 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.5 m -140.59 153.9 46.28 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.913 0.485 . . . . 0.0 110.848 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -148.34 165.95 29.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.19 156.93 45.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.033 0.533 . . . . 0.0 111.071 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -88.0 154.72 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -136.69 132.88 35.51 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.056 0.389 . . . . 0.0 110.824 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.3 tp -104.06 146.36 28.83 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.168 0.987 . . . . 0.0 110.165 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -150.13 121.27 7.76 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -153.89 131.19 11.21 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 123.631 0.772 . . . . 0.0 109.244 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.1 -138.89 49.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.6 p -84.78 -9.08 58.52 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 117.445 0.623 . . . . 0.0 110.654 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.413 ' HE2' ' CD2' ' A' ' 35' ' ' TYR . 39.7 ttp -86.11 138.68 31.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.853 0.861 . . . . 0.0 111.637 -177.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -154.51 149.73 27.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.4 t-105 -154.76 139.04 16.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.394 0.14 . . . . 0.0 111.335 -174.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.7 p -101.13 130.11 47.13 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.008 0.523 . . . . 0.0 109.684 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.271 79.3 m-85 -82.87 61.28 5.83 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -137.99 160.29 39.74 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.019 0.528 . . . . 0.0 110.17 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t -64.93 152.65 42.64 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.977 0.511 . . . . 0.0 111.318 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -145.95 -166.1 2.37 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.03 0.932 . . . . 0.0 110.558 -174.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.442 ' H ' HD21 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -46.0 -33.03 3.1 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.706 1.202 . . . . 0.0 113.433 -176.366 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -151.45 -21.28 0.2 Allowed 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 122.821 0.448 . . . . 0.0 112.097 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -68.76 146.8 52.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 172.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -145.98 139.03 25.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 117.776 0.262 . . . . 0.0 110.746 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.2 t -158.74 156.88 30.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.463 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -74.98 168.45 19.94 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.198 0.599 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -136.77 169.7 17.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.019 0.927 . . . . 0.0 110.319 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.19 120.45 39.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 142.8 30.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.08 139.92 50.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.576 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.8 m-85 -127.27 148.04 50.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.3 t -135.05 143.52 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 122.741 0.416 . . . . 0.0 111.753 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.77 144.93 46.07 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 140.91 58.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.06 125.1 25.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 7.1 t -146.61 -19.85 0.42 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -162.39 142.17 9.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.599 0.76 . . . . 0.0 109.63 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.98 -174.59 11.87 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.131 0.396 . . . . 0.0 113.501 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 80.4 p -159.61 155.51 26.35 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.302 1.041 . . . . 0.0 109.218 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.7 tt -81.79 -52.76 6.79 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.515 -0.279 . . . . 0.0 111.52 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 3.0 t 48.32 86.62 0.14 Allowed Pre-proline 0 N--CA 1.466 0.334 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.53 164.3 36.02 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.72 2.947 . . . . 0.0 111.585 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.887 -1.53 . . . . 0.0 111.811 177.472 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 ttp . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 120.751 0.31 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -65.31 145.42 56.23 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.897 0.479 . . . . 0.0 111.03 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.84 4.26 61.66 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 119.933 -0.371 . . . . 0.0 112.479 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.266 68.6 m-20 60.36 22.36 11.89 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -153.6 177.26 11.14 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.401 0.681 . . . . 0.0 110.22 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -124.23 166.05 16.54 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.85 0.46 . . . . 0.0 110.241 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 50.1 t80 -58.79 138.59 57.11 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 116.35 1.982 . . . . 0.0 116.35 -174.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 78.8 7.75 88.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 122.108 -0.37 . . . . 0.0 112.826 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.51 140.64 53.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.37 -14.29 46.43 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 123.613 0.625 . . . . 0.0 113.062 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -85.0 119.0 24.91 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.973 0.887 . . . . 0.0 113.146 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -138.85 151.02 46.65 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 118.054 0.388 . . . . 0.0 110.476 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.44 148.46 30.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.851 0.46 . . . . 0.0 109.767 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -128.76 128.01 43.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.158 0.583 . . . . 0.0 109.636 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -156.45 157.54 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 110.743 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.57 120.35 12.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mp0 -69.4 -21.82 63.74 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -153.3 125.1 7.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.024 0.375 . . . . 0.0 110.05 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 t -119.13 148.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.28 138.84 40.49 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.69 155.69 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 122.735 0.414 . . . . 0.0 111.615 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -89.45 156.96 18.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.46 145.44 54.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.151 -0.343 . . . . 0.0 110.929 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 5.89 68.61 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.082 -0.843 . . . . 0.0 114.758 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.6 171.69 14.34 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.114 1.457 . . . . 0.0 111.305 176.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.1 m -92.05 165.92 12.94 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -170.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.16 147.01 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 124.031 0.932 . . . . 0.0 109.681 175.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -109.56 140.48 43.31 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.791 0.836 . . . . 0.0 109.641 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -135.33 90.4 20.83 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 123.865 0.866 . . . . 0.0 111.571 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -66.26 148.86 85.26 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.176 2.584 . . . . 0.0 112.001 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 43.1 t -157.78 150.82 23.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.602 0.761 . . . . 0.0 110.927 -175.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -150.83 162.6 40.44 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.09 0.556 . . . . 0.0 110.858 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -139.68 170.5 15.78 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.4 t -147.55 145.63 29.14 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.79 0.836 . . . . 0.0 109.96 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -154.24 155.68 31.13 Favored Pre-proline 0 CA--C 1.529 0.146 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.58 155.69 67.62 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.108 2.539 . . . . 0.0 110.205 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.453 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.0 tt0 -80.94 -1.93 45.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.292 0.637 . . . . 0.0 112.26 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.5 141.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.54 90.59 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.849 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -151.22 166.14 31.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.938 1.369 . . . . 0.0 112.387 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.15 166.76 21.08 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.51 -11.98 19.57 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -98.26 -13.31 20.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.101 0.561 . . . . 0.0 111.76 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.08 146.26 89.73 Favored Pre-proline 0 N--CA 1.454 -0.252 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.41 161.88 44.15 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.75 2.967 . . . . 0.0 109.736 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.7 p -145.33 146.56 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.2 166.4 28.99 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.638 1.175 . . . . 0.0 110.253 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.66 158.49 27.68 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -150.79 168.51 24.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -133.41 146.96 51.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.63 1.172 . . . . 0.0 111.21 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -142.38 149.58 39.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -77.54 136.83 38.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.29 133.54 55.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.287 -176.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.43 -4.67 85.22 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 118.782 -1.01 . . . . 0.0 113.683 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -83.3 -173.13 4.53 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.507 1.653 . . . . 0.0 107.741 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -118.11 102.55 50.72 Favored Pre-proline 0 C--N 1.341 0.218 0 C-N-CA 122.811 0.444 . . . . 0.0 110.287 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.88 -13.33 38.16 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.911 2.407 . . . . 0.0 111.908 -174.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -82.98 -15.17 52.29 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -134.52 -17.33 2.01 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -92.02 158.55 16.17 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 122.746 0.419 . . . . 0.0 111.801 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.3 145.58 68.77 Favored Pre-proline 0 N--CA 1.45 -0.445 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.61 156.28 57.91 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.068 2.512 . . . . 0.0 109.788 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -80.96 -17.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.8 151.32 14.42 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.849 0.86 . . . . 0.0 109.184 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.0 t -161.58 165.75 27.97 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.576 0.351 . . . . 0.0 111.574 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.93 -1.59 12.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.571 0.748 . . . . 0.0 111.004 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -77.79 122.09 85.14 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.34 -19.09 38.58 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.378 2.719 . . . . 0.0 112.239 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -90.89 -11.02 40.45 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -105.31 132.59 51.31 Favored 'General case' 0 N--CA 1.458 -0.069 0 C-N-CA 122.942 0.497 . . . . 0.0 110.345 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -87.29 -178.84 6.29 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.749 0.419 . . . . 0.0 110.001 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.69 171.88 16.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.089 0.556 . . . . 0.0 112.496 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -58.83 144.86 42.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.904 0.482 . . . . 0.0 110.798 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.1 -23.79 65.87 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -84.7 -11.43 55.89 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.112 0.414 . . . . 0.0 111.083 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.43 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -113.34 -0.65 14.46 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.65 130.51 46.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.41 2.88 60.62 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.358 -0.69 . . . . 0.0 113.42 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -121.79 -35.41 3.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.366 1.083 . . . . 0.0 112.139 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.84 137.85 31.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 175.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.96 150.97 24.84 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.842 0.292 . . . . 0.0 110.68 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.4 mt -101.07 144.88 29.45 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -118.41 168.12 10.94 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.398 0.679 . . . . 0.0 110.089 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.96 175.14 41.47 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -95.53 134.14 38.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.14 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-O 120.744 0.306 . . . . 0.0 110.465 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -78.6 -13.05 60.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.359 0.664 . . . . 0.0 110.512 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -96.84 10.85 37.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.735 0.814 . . . . 0.0 109.741 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 60.53 25.8 15.46 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.544 1.137 . . . . 0.0 113.099 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -79.05 147.23 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 2.1 p -134.58 15.12 3.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.123 0.969 . . . . 0.0 111.299 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.3 m -52.54 133.02 36.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.321 0.649 . . . . 0.0 111.0 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -111.16 146.11 37.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.975 0.91 . . . . 0.0 108.745 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -136.55 137.11 39.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.6 mt -116.97 124.85 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -101.24 138.26 38.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.48 0.712 . . . . 0.0 109.747 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 46.07 59.45 3.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.8 150.61 12.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 120.959 0.409 . . . . 0.0 111.9 -174.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -137.0 166.37 23.82 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.072 0.949 . . . . 0.0 109.76 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.02 -17.76 54.02 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -75.38 -15.14 60.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -81.0 -12.85 59.29 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.553 0.341 . . . . 0.0 111.54 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.543 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 87.1 tttt -67.24 134.81 52.35 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.014 0.526 . . . . 0.0 109.672 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.47 -153.54 25.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.3 m -135.92 152.05 50.6 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.082 0.553 . . . . 0.0 110.456 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -145.64 165.99 27.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.65 157.18 44.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 23.4 t80 -96.84 154.62 17.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -133.14 133.14 42.47 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.755 0.422 . . . . 0.0 110.575 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.5 tp -105.67 146.38 29.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.049 0.94 . . . . 0.0 110.433 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -150.87 119.14 6.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.988 0.515 . . . . 0.0 109.64 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -153.1 132.42 12.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.74 -141.6 44.55 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -81.82 -3.89 55.09 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.447 -0.443 . . . . 0.0 111.432 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -92.45 142.36 27.51 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.4 0.619 . . . . 0.0 112.058 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.53 145.92 32.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.777 1.231 . . . . 0.0 107.868 174.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.3 t-105 -152.99 152.63 31.62 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-N 117.61 0.187 . . . . 0.0 110.961 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 t -120.61 130.16 54.05 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 123.028 0.531 . . . . 0.0 109.92 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.263 79.1 m-85 -87.26 66.64 9.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -144.01 157.8 44.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.4 p -64.23 152.18 41.57 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.916 0.388 . . . . 0.0 111.544 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -145.14 -166.42 2.42 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.021 0.928 . . . . 0.0 110.209 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.575 HD23 ' H ' ' A' ' 123' ' ' LEU . 1.8 mm? -56.02 -28.14 56.09 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.759 0.824 . . . . 0.0 112.365 -174.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -140.84 -29.5 0.67 Allowed 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.232 0.613 . . . . 0.0 110.937 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -75.68 147.0 39.78 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -146.1 140.07 26.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.647 0.261 . . . . 0.0 111.115 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.4 t -160.43 166.05 29.95 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.728 0.811 . . . . 0.0 110.229 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -75.39 164.6 26.23 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.247 0.546 . . . . 0.0 112.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -140.4 159.09 42.96 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.579 1.152 . . . . 0.0 109.592 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.5 tp -100.7 128.72 46.64 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -108.17 142.84 37.79 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.63 141.72 45.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.543 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 35.0 m-85 -129.94 145.8 51.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.0 t -136.63 143.21 35.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 122.775 0.43 . . . . 0.0 111.908 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -134.87 146.33 49.12 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.99 141.38 58.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.522 0.201 . . . . 0.0 110.761 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.31 122.93 18.26 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.703 0.287 . . . . 0.0 110.439 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -148.23 11.21 0.91 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.021 0.928 . . . . 0.0 112.977 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -155.1 -179.12 7.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -60.91 154.9 35.32 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 79.5 p -66.97 151.83 46.9 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 122.51 -0.406 . . . . 0.0 111.406 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 tt -78.08 -44.63 25.7 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.302 -178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.4 t 59.81 122.7 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -70.83 163.58 38.62 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.197 2.598 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.001 178.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 ttp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -71.05 158.17 36.95 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.11 -2.87 54.75 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.541 0.591 . . . . 0.0 113.405 -176.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -72.27 -0.13 11.4 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -156.09 -175.34 5.38 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.562 0.745 . . . . 0.0 110.283 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -139.16 166.06 25.52 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.806 0.842 . . . . 0.0 109.398 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.276 53.1 t80 -55.92 139.8 44.91 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -173.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 80.62 3.27 90.21 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.726 -0.486 . . . . 0.0 113.203 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.75 140.93 46.03 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.19 -15.5 44.13 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.245 -0.753 . . . . 0.0 112.864 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -84.7 117.24 23.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.583 1.191 . . . . 0.0 112.637 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt -137.22 151.79 49.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.884 0.311 . . . . 0.0 110.662 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -148.62 146.98 28.45 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -130.76 128.31 40.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 p -157.46 157.64 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.78 0.832 . . . . 0.0 110.101 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -65.79 118.05 9.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.89 -17.55 63.35 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.46 124.97 7.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.106 0.412 . . . . 0.0 110.091 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -120.91 148.68 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.2 1.0 . . . . 0.0 108.431 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.91 141.28 42.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.75 155.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 C-N-CA 122.85 0.46 . . . . 0.0 111.541 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -87.69 157.94 18.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.37 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -71.9 140.66 49.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.212 -0.305 . . . . 0.0 110.504 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.87 4.46 65.17 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.851 -0.971 . . . . 0.0 114.642 175.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.69 174.81 10.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.029 1.414 . . . . 0.0 111.633 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -91.79 169.62 10.55 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.07 155.35 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 C-N-CA 124.784 1.234 . . . . 0.0 109.302 173.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -120.39 141.38 50.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.443 0.697 . . . . 0.0 110.239 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 t -134.71 88.53 28.08 Favored Pre-proline 0 CA--C 1.528 0.105 0 C-N-CA 123.651 0.78 . . . . 0.0 111.191 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -71.2 142.27 41.31 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.1 2.533 . . . . 0.0 111.319 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.9 p -161.96 166.89 25.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.36 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.8 p -153.79 170.55 20.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.902 0.481 . . . . 0.0 111.331 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.34 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -146.71 148.83 32.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.659 0.783 . . . . 0.0 110.087 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.423 ' CD2' ' HE3' ' A' ' 115' ' ' MET . 8.0 p90 -154.6 156.63 31.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -67.08 157.84 59.74 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.305 2.67 . . . . 0.0 110.281 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.467 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.96 -2.21 46.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.198 0.599 . . . . 0.0 112.505 -176.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.52 133.27 47.48 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.26 2.58 79.97 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.341 -0.7 . . . . 0.0 114.361 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.467 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.4 p-90 -149.53 167.43 26.31 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 118.875 1.337 . . . . 0.0 112.299 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.22 167.13 18.92 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.56 -0.04 0.85 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.3 p -128.1 0.2 5.85 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.922 0.489 . . . . 0.0 112.307 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -72.69 143.82 85.22 Favored Pre-proline 0 N--CA 1.454 -0.229 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -59.28 157.36 30.88 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.258 2.639 . . . . 0.0 111.544 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 p -146.03 146.05 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -148.97 166.12 29.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.815 1.246 . . . . 0.0 110.112 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.81 156.44 26.89 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -148.95 169.22 21.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -135.2 147.88 49.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.637 1.175 . . . . 0.0 111.476 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -143.22 148.78 37.0 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -75.92 138.26 40.9 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.27 133.97 56.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.891 0.377 . . . . 0.0 110.455 -177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.03 -0.68 89.37 Favored Glycine 0 CA--C 1.533 1.168 0 CA-C-O 119.065 -0.853 . . . . 0.0 113.534 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -83.84 -171.88 3.84 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.434 1.617 . . . . 0.0 107.266 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -123.6 98.28 40.74 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 122.82 0.448 . . . . 0.0 110.774 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -56.22 -19.73 28.72 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.305 2.67 . . . . 0.0 113.581 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -79.38 -15.44 57.87 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -134.52 -15.39 2.15 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.82 151.76 19.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.493 0.717 . . . . 0.0 112.144 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.8 148.29 79.01 Favored Pre-proline 0 N--CA 1.451 -0.381 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.66 154.58 59.52 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.884 2.389 . . . . 0.0 110.099 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -82.24 -16.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.99 153.79 14.6 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.063 0.945 . . . . 0.0 109.075 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -161.04 155.79 23.68 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -94.26 -12.73 27.54 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.812 0.845 . . . . 0.0 111.19 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -73.82 122.86 88.6 Favored Pre-proline 0 CA--C 1.534 0.355 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.68 -19.7 27.48 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.373 2.715 . . . . 0.0 112.418 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -95.35 -15.23 23.24 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -87.11 137.8 32.04 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.946 0.499 . . . . 0.0 110.426 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -89.98 179.69 5.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.05 0.54 . . . . 0.0 110.469 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.2 170.36 19.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 123.439 0.696 . . . . 0.0 111.381 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -58.44 146.3 35.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.791 0.436 . . . . 0.0 111.102 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.39 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.96 -10.04 51.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.302 0.501 . . . . 0.0 111.486 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -112.97 -9.14 13.63 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.37 132.55 54.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.636 0.374 . . . . 0.0 110.619 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.68 1.96 73.88 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.409 -0.662 . . . . 0.0 113.163 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -128.3 -35.03 2.02 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.277 1.039 . . . . 0.0 112.554 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -86.51 139.28 31.02 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -157.09 147.12 20.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.3 mt -102.27 144.56 30.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -118.29 169.74 9.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.709 0.804 . . . . 0.0 110.739 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.58 173.79 34.59 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -93.87 135.01 35.64 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -26.5 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-O 120.556 0.217 . . . . 0.0 110.45 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -79.94 -11.86 59.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.358 0.663 . . . . 0.0 110.563 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -99.56 11.37 39.34 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.165 0.986 . . . . 0.0 110.208 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 59.41 25.37 14.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.198 0.999 . . . . 0.0 112.912 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.04 141.9 37.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -125.67 9.69 7.71 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.06 0.544 . . . . 0.0 111.104 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -46.52 132.65 10.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.81 0.844 . . . . 0.0 111.612 -172.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.2 tp -116.38 148.26 40.81 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.88 0.872 . . . . 0.0 109.052 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.7 t -138.05 136.36 36.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.6 124.81 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -101.97 142.18 33.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.235 0.614 . . . . 0.0 109.686 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 45.2 58.19 4.27 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.72 148.75 15.69 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -171.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -136.28 166.24 23.9 Favored 'General case' 0 N--CA 1.46 0.039 0 C-N-CA 123.683 0.793 . . . . 0.0 109.558 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -61.18 -16.36 43.9 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -72.65 -18.41 61.57 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.02 0.528 . . . . 0.0 111.979 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.39 -15.01 56.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.724 0.41 . . . . 0.0 111.809 -176.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.533 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.24 131.52 45.93 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.54 -149.69 21.59 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.3 m -141.08 153.96 45.71 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.246 0.619 . . . . 0.0 110.227 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -147.31 166.81 25.99 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -142.37 158.85 43.25 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.165 0.586 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 31.8 t80 -94.68 154.52 17.28 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -133.77 132.7 40.82 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.56 0.344 . . . . 0.0 110.26 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.8 tp -103.95 145.8 29.6 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.457 1.103 . . . . 0.0 110.307 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -151.61 119.81 6.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -152.93 131.86 12.51 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.677 0.791 . . . . 0.0 109.449 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.18 -138.51 48.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -175.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.1 p -84.51 -8.29 58.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.047 0.423 . . . . 0.0 110.747 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.423 ' HE3' ' CD2' ' A' ' 35' ' ' TYR . 40.2 ttp -88.12 142.03 28.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.869 0.867 . . . . 0.0 111.539 -176.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -153.47 151.78 30.23 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.288 0.635 . . . . 0.0 109.625 170.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.445 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.2 t-105 -153.66 154.9 35.03 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -173.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.9 t -120.31 127.36 52.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.835 0.454 . . . . 0.0 110.024 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.274 79.2 m-85 -83.09 62.64 6.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -176.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -138.59 162.1 35.44 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.16 0.584 . . . . 0.0 109.653 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.6 p -64.07 151.4 43.17 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -145.04 -166.66 2.47 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.144 0.978 . . . . 0.0 110.717 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.474 ' H ' HD21 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -47.65 -31.91 5.09 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.566 1.147 . . . . 0.0 113.236 -176.81 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -152.25 -22.32 0.18 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.793 0.437 . . . . 0.0 111.801 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -71.12 147.43 48.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -146.04 151.0 37.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.945 0.402 . . . . 0.0 110.903 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.9 t -163.01 156.7 20.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.543 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -73.0 169.75 16.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.096 0.474 . . . . 0.0 110.939 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -137.67 165.29 26.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.99 0.916 . . . . 0.0 110.544 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.48 124.29 45.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.7 t -102.91 143.01 33.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 54.3 t -128.21 140.64 48.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 C-N-CA 122.833 0.453 . . . . 0.0 109.959 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.533 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.3 m-85 -128.39 146.7 50.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.79 143.36 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.212 0.605 . . . . 0.0 111.49 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -132.5 140.15 48.23 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.19 141.59 58.72 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.35 119.86 12.9 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.893 0.477 . . . . 0.0 109.714 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -147.6 1.99 0.71 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -150.15 29.06 0.73 Allowed 'General case' 0 C--O 1.231 0.13 0 C-N-CA 122.807 0.443 . . . . 0.0 111.378 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 88.11 158.44 33.33 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.7 p -78.08 148.81 34.07 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.661 0.784 . . . . 0.0 111.617 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 tt -84.25 -45.13 13.19 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 122.882 0.473 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.6 t 51.29 78.35 0.4 Allowed Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.47 175.86 10.47 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.866 3.044 . . . . 0.0 110.772 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.6 mmt-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.161 -0.924 . . . . 0.0 111.283 -178.364 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.8 tpp . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -68.25 161.0 28.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.815 0.446 . . . . 0.0 111.555 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.65 -3.12 78.16 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.729 -0.484 . . . . 0.0 112.528 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.3 t0 54.83 37.03 27.85 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.818 0.818 . . . . 0.0 112.641 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 ptt-85 -157.52 166.32 33.26 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.564 0.746 . . . . 0.0 109.561 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -87.12 160.88 18.39 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.252 65.0 t80 -61.08 128.58 37.11 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -172.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.94 5.98 89.76 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 119.448 -0.64 . . . . 0.0 113.566 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.61 152.5 45.28 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.659 1.229 . . . . 0.0 108.428 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.92 -15.9 13.9 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.313 -0.715 . . . . 0.0 113.412 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.89 121.12 28.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.459 1.13 . . . . 0.0 110.562 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 mt -138.88 151.89 47.34 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.138 0.575 . . . . 0.0 110.325 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -148.46 148.62 30.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.782 0.433 . . . . 0.0 110.042 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -130.84 126.44 36.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.497 ' H ' ' HE3' ' A' ' 128' ' ' LYS . 11.0 p -157.58 157.63 3.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 123.597 0.759 . . . . 0.0 110.846 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.61 119.66 12.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -68.35 -20.68 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.22 124.64 7.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.984 0.357 . . . . 0.0 110.282 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.16 147.2 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.462 1.105 . . . . 0.0 108.408 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.23 139.79 39.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -154.74 155.49 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 122.865 0.466 . . . . 0.0 111.38 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -84.96 158.7 20.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.026 -0.422 . . . . 0.0 110.104 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.27 143.33 48.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.28 0.232 . . . . 0.0 111.072 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.67 5.48 66.66 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.066 -0.852 . . . . 0.0 114.924 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -145.12 173.93 11.49 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.81 1.305 . . . . 0.0 111.302 177.007 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -91.98 167.12 12.33 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -170.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.61 155.96 5.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.345 1.058 . . . . 0.0 109.232 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -120.5 140.87 50.8 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.741 0.816 . . . . 0.0 110.296 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.41 88.34 30.09 Favored Pre-proline 0 C--N 1.333 -0.139 0 C-N-CA 123.898 0.879 . . . . 0.0 110.915 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.76 141.89 50.88 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.119 2.546 . . . . 0.0 111.285 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.8 p -162.95 166.95 23.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 111.206 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.2 p -154.03 169.62 23.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.009 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -138.01 168.88 18.8 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -147.38 149.56 33.0 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.475 0.71 . . . . 0.0 110.226 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -153.28 156.53 32.59 Favored Pre-proline 0 CA--C 1.53 0.195 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -174.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.66 154.44 74.41 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.274 2.649 . . . . 0.0 109.922 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.46 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -79.16 -0.67 32.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.784 0.434 . . . . 0.0 112.022 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.25 129.9 40.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.52 4.54 70.38 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.23 -0.761 . . . . 0.0 114.271 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -151.14 165.86 32.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.626 1.213 . . . . 0.0 112.782 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.21 166.96 19.99 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -62.46 -13.83 34.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -92.43 -12.3 32.51 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.003 0.521 . . . . 0.0 111.617 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.07 156.17 91.04 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.65 173.07 14.99 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 124.012 3.142 . . . . 0.0 110.697 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.14 143.0 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 123.021 0.528 . . . . 0.0 110.943 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -149.61 163.88 36.67 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.776 0.83 . . . . 0.0 110.822 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.52 156.78 26.4 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -151.44 174.42 13.39 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -138.96 147.82 42.71 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.158 0.983 . . . . 0.0 112.141 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -142.84 150.77 40.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -76.53 136.35 39.3 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.87 136.99 57.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 122.077 -0.389 . . . . 0.0 110.661 -176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.33 -8.36 77.26 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.869 -0.961 . . . . 0.0 113.888 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 p30 -84.14 -171.36 3.56 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.51 1.655 . . . . 0.0 107.935 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HD3' ' CE1' ' A' ' 58' ' ' TYR . 41.1 ttm180 -128.58 116.17 19.61 Favored Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 177.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.56 -18.27 22.78 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.632 2.888 . . . . 0.0 114.782 -168.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.463 ' CE1' ' HD3' ' A' ' 56' ' ' ARG 0.326 15.5 p90 -90.93 3.1 55.51 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 117.241 2.311 . . . . 0.0 117.241 -178.009 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -134.43 10.14 3.74 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -151.37 161.47 42.65 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.82 153.0 83.05 Favored Pre-proline 0 N--CA 1.453 -0.276 0 C-N-CA 123.095 0.558 . . . . 0.0 111.588 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.41 159.36 43.42 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 123.439 2.759 . . . . 0.0 110.387 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.54 -15.62 10.92 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.17 18.34 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.009 0.924 . . . . 0.0 109.412 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -161.45 162.62 30.59 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.678 0.275 . . . . 0.0 111.215 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -112.95 -1.54 14.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.376 0.67 . . . . 0.0 110.729 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -73.61 128.46 87.0 Favored Pre-proline 0 N--CA 1.452 -0.369 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.57 -17.4 38.46 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.564 2.843 . . . . 0.0 112.997 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -108.75 -15.61 14.36 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -177.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -80.16 141.33 35.79 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.567 0.347 . . . . 0.0 110.09 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -89.42 -178.84 5.7 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.787 0.435 . . . . 0.0 110.67 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.97 169.34 16.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 123.756 0.823 . . . . 0.0 111.242 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -58.6 147.29 32.95 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.143 0.577 . . . . 0.0 111.519 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.7 63.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -87.41 -9.19 55.39 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.054 0.388 . . . . 0.0 111.091 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.419 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.81 -6.54 11.04 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.6 135.01 57.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 110.933 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 4.16 69.71 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.171 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -129.67 -39.43 1.45 Allowed 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.631 1.215 . . . . 0.0 112.688 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -80.05 138.14 36.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -156.73 153.24 28.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.406 0.282 . . . . 0.0 110.54 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.4 mt -108.4 144.27 36.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.656 0.382 . . . . 0.0 110.236 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.3 mt -119.1 170.64 8.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.17 0.988 . . . . 0.0 110.557 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.99 171.67 38.04 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.65 128.21 34.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.8 pt -71.32 -21.23 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -85.06 2.01 45.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.056 0.542 . . . . 0.0 111.213 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -119.49 15.6 12.91 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.028 0.931 . . . . 0.0 110.056 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 59.26 26.88 15.78 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.417 1.087 . . . . 0.0 113.587 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.25 140.36 38.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.6 p -127.41 8.63 6.53 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.104 0.562 . . . . 0.0 111.615 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.0 m -44.48 114.01 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.271 1.028 . . . . 0.0 111.665 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.1 tp -90.69 145.12 25.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -135.13 135.59 41.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 172.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.28 125.08 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -102.49 142.05 34.32 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 45.08 58.53 4.01 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.9 149.81 14.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -134.79 165.7 24.68 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 124.055 0.942 . . . . 0.0 109.302 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.19 -16.99 50.71 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -73.37 -16.88 61.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.565 0.746 . . . . 0.0 112.006 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -84.15 -12.14 55.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.023 0.529 . . . . 0.0 112.214 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.558 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.78 133.7 49.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.83 -151.91 23.83 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.5 m -139.78 152.92 46.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.209 0.603 . . . . 0.0 110.138 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -147.36 166.89 25.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -143.91 158.39 43.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.26 21.3 t80 -91.05 154.36 19.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -135.0 144.96 47.66 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 122.626 0.37 . . . . 0.0 110.058 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.9 tp -122.37 144.56 48.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -133.76 125.33 28.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -152.61 114.02 4.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.51 -137.65 45.11 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 m -79.95 -4.71 53.6 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.753 0.277 . . . . 0.0 111.71 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 61.2 ttp -91.97 144.94 24.94 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.367 0.667 . . . . 0.0 111.621 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 148.71 39.1 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 173.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -156.24 155.75 32.9 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-O 120.431 0.158 . . . . 0.0 110.975 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.3 p -128.17 130.35 47.91 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.227 0.611 . . . . 0.0 110.223 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.276 79.6 m-85 -83.16 56.8 3.65 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -129.88 152.08 49.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.022 0.529 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.4 m -65.64 153.16 42.41 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.876 0.47 . . . . 0.0 111.646 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -144.85 -166.09 2.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.98 0.912 . . . . 0.0 110.783 -175.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.604 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.7 mm? -52.01 -26.96 11.92 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.425 1.09 . . . . 0.0 112.494 -174.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -152.98 -23.34 0.15 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.022 0.529 . . . . 0.0 111.973 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -72.56 146.76 46.5 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -145.47 137.84 25.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.917 0.326 . . . . 0.0 111.478 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.1 t -161.51 154.08 20.27 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.717 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.497 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 62.8 pttt -80.8 169.36 17.69 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.128 0.49 . . . . 0.0 110.711 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -133.99 168.75 18.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.594 0.758 . . . . 0.0 111.293 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.54 134.32 43.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.76 0.824 . . . . 0.0 109.033 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.63 143.03 45.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.9 t -127.89 139.21 52.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.558 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.2 m-85 -127.78 146.01 50.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.13 143.51 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.006 0.522 . . . . 0.0 111.177 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -133.15 143.41 49.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.79 140.36 56.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.975 0.417 . . . . 0.0 110.119 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.03 122.93 18.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -147.32 11.44 1.02 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.104 0.962 . . . . 0.0 113.27 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -155.08 179.08 9.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.307 1.043 . . . . 0.0 108.66 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.65 153.89 39.83 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.3 p -70.38 153.31 43.14 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.228 0.611 . . . . 0.0 111.534 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' A' ' 25' ' ' LEU . 8.8 tt -78.32 -45.16 23.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.523 0.729 . . . . 0.0 111.647 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.7 t 49.29 86.04 0.16 Allowed Pre-proline 0 CA--C 1.532 0.276 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.8 146.49 72.53 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.035 2.49 . . . . 0.0 110.801 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.558 -1.21 . . . . 0.0 111.442 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.625 0.25 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -62.86 153.86 31.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.405 0.682 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.87 -6.38 81.95 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.746 -0.474 . . . . 0.0 112.898 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -72.13 -6.22 41.05 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -158.45 179.58 9.0 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.202 1.001 . . . . 0.0 110.301 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -136.38 166.36 23.66 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.726 0.81 . . . . 0.0 109.081 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -52.63 124.43 13.71 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -172.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.13 1.44 89.98 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.693 -0.504 . . . . 0.0 113.97 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -66.45 151.89 46.27 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.656 1.228 . . . . 0.0 108.793 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.65 13.86 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.741 0.686 . . . . 0.0 112.836 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -84.54 120.76 26.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.235 1.017 . . . . 0.0 112.837 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.6 mt -140.03 152.36 46.18 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.595 0.358 . . . . 0.0 110.29 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.75 146.75 28.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -130.06 126.5 37.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.958 0.503 . . . . 0.0 109.695 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -156.98 156.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.586 0.754 . . . . 0.0 110.507 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.76 117.43 7.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -67.54 -19.33 65.28 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 tp -153.53 125.23 7.7 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.116 0.416 . . . . 0.0 109.895 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -120.73 147.58 24.45 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 124.483 1.113 . . . . 0.0 108.258 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.23 140.56 41.76 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -155.57 154.03 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 122.561 0.344 . . . . 0.0 111.683 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -84.93 157.88 20.71 Favored 'General case' 0 CA--C 1.529 0.143 0 O-C-N 121.838 -0.539 . . . . 0.0 109.7 174.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -71.33 142.4 50.43 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.063 -0.398 . . . . 0.0 110.648 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.59 5.94 64.5 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.982 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.92 171.38 14.52 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.011 1.405 . . . . 0.0 111.577 176.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -91.74 163.66 14.0 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.25 151.01 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.35 1.06 . . . . 0.0 109.075 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -114.23 143.41 44.89 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.409 0.684 . . . . 0.0 110.345 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.5 87.89 25.83 Favored Pre-proline 0 N--CA 1.455 -0.19 0 C-N-CA 123.961 0.904 . . . . 0.0 110.998 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.3 143.16 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.143 2.562 . . . . 0.0 111.273 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.3 p -162.46 166.04 25.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.773 0.321 . . . . 0.0 111.198 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -153.01 169.17 23.55 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.047 0.539 . . . . 0.0 111.196 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -140.54 171.66 13.8 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.09 148.04 31.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.539 0.736 . . . . 0.0 110.336 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -154.54 155.27 30.48 Favored Pre-proline 0 N--CA 1.456 -0.163 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -174.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.07 157.71 60.6 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.252 2.635 . . . . 0.0 110.074 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.0 tt0 -80.29 -0.03 34.84 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.965 0.506 . . . . 0.0 112.197 -177.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.97 129.05 38.74 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -177.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.85 4.51 72.35 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.394 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.2 p-90 -152.14 166.9 30.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.887 1.343 . . . . 0.0 111.898 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.17 165.69 22.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.1 -13.38 26.15 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 t -95.11 -13.35 25.17 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.619 0.368 . . . . 0.0 111.614 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.86 146.23 87.58 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -71.55 160.71 47.6 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.903 3.069 . . . . 0.0 109.861 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.5 145.47 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 122.779 0.432 . . . . 0.0 110.107 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -148.19 166.09 28.94 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.4 1.08 . . . . 0.0 110.302 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.43 157.65 27.26 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -151.03 170.75 18.62 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -174.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -135.33 147.77 49.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.59 1.156 . . . . 0.0 111.563 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -142.86 154.28 43.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.016 0.527 . . . . 0.0 110.783 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.49 146.58 36.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.76 142.86 58.25 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.09 -3.38 65.93 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.49 127.42 55.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.748 1.219 . . . . 0.0 112.727 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -84.0 136.29 41.41 Favored Pre-proline 0 CA--C 1.531 0.245 0 O-C-N 122.323 -0.236 . . . . 0.0 111.024 -174.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.66 8.63 2.58 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 124.26 3.307 . . . . 0.0 114.342 -171.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.297 19.2 p90 -125.99 6.89 7.27 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -134.37 10.77 3.79 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -158.02 161.31 38.08 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.68 151.53 91.31 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 123.449 0.7 . . . . 0.0 111.167 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.36 155.98 55.16 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.156 2.57 . . . . 0.0 109.938 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -83.83 -16.41 10.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 176.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 153.0 18.25 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.005 0.922 . . . . 0.0 109.573 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.54 165.06 29.08 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 122.739 0.415 . . . . 0.0 111.38 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -116.11 0.36 12.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.525 0.73 . . . . 0.0 110.785 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -73.72 134.63 78.55 Favored Pre-proline 0 N--CA 1.449 -0.516 0 C-N-CA 123.399 0.679 . . . . 0.0 109.25 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -75.17 -9.72 20.66 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 124.154 3.236 . . . . 0.0 113.961 -172.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -117.15 -26.74 6.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.537 0.608 . . . . 0.0 112.352 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.5 tpp85 -71.41 137.0 47.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.229 0.612 . . . . 0.0 110.845 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -92.07 -179.18 5.2 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.194 0.598 . . . . 0.0 110.381 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.15 171.75 16.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.729 0.812 . . . . 0.0 111.687 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -58.61 147.3 32.98 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 123.102 0.561 . . . . 0.0 111.232 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.19 63.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.397 0.279 . . . . 0.0 111.646 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -87.74 -7.26 57.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.934 0.334 . . . . 0.0 111.511 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -119.12 -7.77 10.28 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.22 134.47 57.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.924 0.393 . . . . 0.0 110.737 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.22 70.43 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.071 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -129.22 -35.87 1.76 Allowed 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.364 1.082 . . . . 0.0 112.589 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.96 136.56 32.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -157.28 152.96 26.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.625 0.25 . . . . 0.0 110.552 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.7 mt -102.59 144.73 30.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.7 mt -117.81 169.27 9.74 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.902 0.881 . . . . 0.0 110.26 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.27 177.18 42.97 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -94.89 136.34 35.32 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -29.08 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -79.29 -13.02 59.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.353 0.661 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -95.42 9.41 40.1 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.366 0.667 . . . . 0.0 109.752 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 59.09 27.69 16.74 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.255 1.022 . . . . 0.0 112.869 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -79.95 143.22 34.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.7 p -127.71 8.45 6.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.525 0.73 . . . . 0.0 111.141 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -44.6 122.06 2.95 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.112 0.965 . . . . 0.0 111.648 -172.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.0 tp -102.11 143.84 31.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -133.06 133.33 42.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.36 125.11 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -102.98 141.35 35.93 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 44.37 58.51 3.75 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.75 145.87 22.96 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -125.36 163.07 23.39 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -64.55 -9.82 21.72 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -78.5 -17.51 56.14 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.139 0.576 . . . . 0.0 111.984 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.01 -13.88 59.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.533 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -66.03 133.38 50.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.934 0.494 . . . . 0.0 109.863 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.43 -150.26 22.34 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.2 m -140.9 153.77 45.84 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 122.94 0.496 . . . . 0.0 110.079 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -147.09 165.39 30.07 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -173.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -138.84 156.72 47.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.207 0.603 . . . . 0.0 110.293 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -92.52 154.47 18.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -131.82 136.41 47.48 Favored 'General case' 0 C--N 1.338 0.068 0 C-N-CA 123.02 0.528 . . . . 0.0 110.41 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.15 143.42 40.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.053 0.941 . . . . 0.0 110.361 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -147.8 119.88 8.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.131 0.572 . . . . 0.0 109.87 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -153.67 129.86 10.43 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -139.61 47.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 t -81.71 -11.1 59.19 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.611 -0.346 . . . . 0.0 110.768 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -85.5 139.26 31.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.309 0.644 . . . . 0.0 111.845 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -143.66 142.39 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.382 1.473 . . . . 0.0 108.722 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -152.26 154.92 36.68 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.552 0.215 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.4 t -127.22 131.9 50.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.205 0.602 . . . . 0.0 109.898 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 80.9 m-85 -84.29 63.58 7.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -141.96 163.63 32.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.824 0.85 . . . . 0.0 109.772 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p -62.76 142.31 58.22 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.901 0.381 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -145.92 -177.7 5.73 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.54 1.136 . . . . 0.0 110.75 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.538 HD22 ' H ' ' A' ' 123' ' ' LEU . 0.9 OUTLIER -52.4 -37.94 57.77 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -170.352 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -133.15 19.3 4.05 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.562 0.619 . . . . 0.0 110.805 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -141.44 149.19 40.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -172.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.02 152.95 40.18 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 120.912 0.387 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.0 t -162.82 162.5 26.55 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.06 0.544 . . . . 0.0 110.834 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -76.52 170.74 15.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.598 0.359 . . . . 0.0 111.081 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -138.12 165.17 27.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.983 0.913 . . . . 0.0 110.059 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 tp -100.58 123.0 44.2 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.6 t -102.54 142.02 34.41 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.48 138.3 55.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.974 0.509 . . . . 0.0 109.798 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.533 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.0 m-85 -126.94 144.81 50.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.9 t -136.81 143.38 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -131.86 142.73 49.78 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.38 140.74 58.55 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.626 0.25 . . . . 0.0 110.661 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.35 121.64 18.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.6 t -144.07 -16.23 0.59 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -162.41 141.91 9.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.145 0.578 . . . . 0.0 109.465 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 61.87 -169.96 11.59 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.151 0.405 . . . . 0.0 113.265 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.4 t -160.6 145.63 14.46 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 124.237 1.015 . . . . 0.0 109.084 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.9 tt -78.73 -53.28 7.3 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.323 -0.236 . . . . 0.0 111.275 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.5 t 58.97 128.75 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -70.0 154.73 66.49 Favored 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.797 2.331 . . . . 0.0 111.046 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.25 -179.818 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 120.477 0.18 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -70.7 147.62 48.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.83 0.452 . . . . 0.0 110.548 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.48 7.97 29.12 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.582 -0.566 . . . . 0.0 113.186 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -154.07 117.31 4.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.867 0.834 . . . . 0.0 111.595 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -153.55 169.56 22.92 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 123.924 0.89 . . . . 0.0 110.316 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -122.68 166.24 15.21 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.757 0.823 . . . . 0.0 109.183 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -56.56 130.94 47.25 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -172.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.16 3.86 88.58 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-O 119.774 -0.459 . . . . 0.0 113.39 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -66.84 152.26 45.94 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.721 1.261 . . . . 0.0 109.162 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.35 -16.22 14.47 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 123.851 0.739 . . . . 0.0 112.644 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.54 119.44 24.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.211 1.006 . . . . 0.0 112.231 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -136.75 159.12 42.8 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.542 0.337 . . . . 0.0 110.549 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -144.98 143.77 30.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.328 0.651 . . . . 0.0 109.68 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -130.33 113.6 14.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.74 155.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.276 0.63 . . . . 0.0 110.481 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.52 118.67 10.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.78 -18.53 64.21 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -153.84 124.4 7.12 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.396 0.544 . . . . 0.0 110.385 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.26 149.56 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.461 1.104 . . . . 0.0 108.373 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.81 139.51 38.23 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.58 156.03 5.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.079 0 C-N-CA 122.911 0.485 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -89.48 157.51 18.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.011 -0.431 . . . . 0.0 110.15 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.68 143.81 53.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.274 -0.267 . . . . 0.0 110.805 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.26 5.78 67.15 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.842 -0.977 . . . . 0.0 114.763 174.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.12 172.97 12.95 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.389 1.595 . . . . 0.0 111.748 177.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -91.69 167.61 12.07 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -155.38 156.81 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.807 1.243 . . . . 0.0 109.063 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -121.43 140.74 51.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.667 0.787 . . . . 0.0 109.961 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.29 90.18 25.85 Favored Pre-proline 0 N--CA 1.457 -0.114 0 C-N-CA 124.051 0.94 . . . . 0.0 110.843 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.01 144.1 46.49 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.259 2.64 . . . . 0.0 111.177 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.3 p -162.16 168.49 22.43 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.423 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.5 t -151.96 168.36 25.45 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.85 0.86 . . . . 0.0 110.689 -177.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -140.3 168.43 19.83 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -147.71 150.03 33.54 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.89 0.476 . . . . 0.0 109.935 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.9 155.98 33.98 Favored Pre-proline 0 CA--C 1.53 0.198 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -173.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.14 156.79 64.47 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.218 2.612 . . . . 0.0 109.819 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -78.7 -1.2 33.34 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 112.102 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.12 127.91 34.77 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.44 4.84 67.76 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.15 -0.806 . . . . 0.0 114.58 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 65.9 p-90 -151.75 167.29 28.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 118.961 1.38 . . . . 0.0 112.358 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.39 164.47 22.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -60.42 -27.67 67.66 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -176.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -89.59 -3.44 58.29 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.3 149.35 91.53 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.38 160.44 49.53 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.809 3.006 . . . . 0.0 109.916 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.91 148.93 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.627 0.371 . . . . 0.0 110.158 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -148.97 164.05 35.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.653 1.181 . . . . 0.0 110.161 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.02 155.23 26.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -150.03 173.0 14.34 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -174.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -138.73 146.53 41.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.66 1.184 . . . . 0.0 111.266 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.01 151.46 40.86 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -74.19 144.81 44.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.2 135.95 49.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.31 -9.83 76.43 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.58 -0.567 . . . . 0.0 112.92 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -68.58 164.87 20.39 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -131.34 98.67 18.21 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 123.663 0.785 . . . . 0.0 109.141 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.41 -17.08 15.29 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 124.738 3.625 . . . . 0.0 116.011 -172.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.25 12.0 p90 -70.96 -17.22 62.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -137.24 -18.43 1.3 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.76 0.424 . . . . 0.0 111.701 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -80.19 153.13 28.79 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.66 140.6 33.58 Favored Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.68 155.26 58.99 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.715 2.277 . . . . 0.0 110.451 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -80.52 -17.2 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 122.233 -0.292 . . . . 0.0 111.264 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.91 150.28 11.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.365 1.066 . . . . 0.0 109.019 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 t -160.2 155.79 25.53 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -94.01 -13.18 27.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.695 0.798 . . . . 0.0 110.924 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -73.12 122.56 87.97 Favored Pre-proline 0 N--CA 1.453 -0.324 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.03 -19.5 22.97 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.461 2.774 . . . . 0.0 112.413 -176.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -94.31 -16.27 23.69 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -91.14 133.98 34.91 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -85.15 -178.79 6.88 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.913 0.485 . . . . 0.0 109.971 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.08 169.44 21.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.634 0.774 . . . . 0.0 111.48 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -58.41 145.34 38.82 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.836 0.454 . . . . 0.0 110.985 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.35 64.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -88.31 -9.49 52.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.286 0.494 . . . . 0.0 111.666 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.455 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -112.84 -7.97 13.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.1 131.55 51.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.923 0.392 . . . . 0.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.49 2.41 74.5 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.357 -0.69 . . . . 0.0 112.843 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -127.26 -33.9 2.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.381 1.091 . . . . 0.0 112.578 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.0 m-85 -88.24 140.22 29.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 175.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -156.77 146.43 20.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.7 mt -99.47 144.28 28.74 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 mt -116.16 171.2 7.96 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.658 0.783 . . . . 0.0 110.146 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.38 -156.55 51.27 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.252 6.7 p30 -137.2 144.41 42.84 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -24.66 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.632 0.773 . . . . 0.0 111.347 -177.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -81.29 6.66 13.51 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.218 0.607 . . . . 0.0 112.067 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.2 t -129.23 16.16 6.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.081 0.953 . . . . 0.0 109.546 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 59.49 20.5 8.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.716 1.206 . . . . 0.0 113.806 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -79.73 139.09 37.44 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.0 p -122.95 10.76 9.52 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.806 0.443 . . . . 0.0 111.843 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.8 m -44.56 133.99 5.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.768 0.827 . . . . 0.0 111.959 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.8 tp -119.87 148.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.99 0.916 . . . . 0.0 108.981 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.4 t -138.44 136.82 36.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 175.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.18 124.83 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -101.43 140.84 35.16 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.323 0.649 . . . . 0.0 109.42 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 46.1 55.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.68 150.5 12.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -141.95 168.42 19.78 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.806 0.842 . . . . 0.0 109.853 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.12 -16.45 32.29 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -73.52 -17.2 61.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.105 0.412 . . . . 0.0 111.928 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -83.92 -13.53 53.26 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.765 0.426 . . . . 0.0 111.739 -177.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -66.73 133.76 50.82 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.78 -149.93 22.01 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.6 m -139.17 152.85 47.74 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.134 0.574 . . . . 0.0 110.427 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -146.33 165.9 27.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -174.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -140.28 157.43 45.59 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.984 0.514 . . . . 0.0 111.729 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -87.93 154.6 20.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -132.09 133.5 44.4 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-O 120.694 0.283 . . . . 0.0 110.677 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.6 tp -105.46 143.55 33.47 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.303 1.041 . . . . 0.0 110.293 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -150.37 121.1 7.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 172.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -154.31 133.24 12.35 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 123.561 0.744 . . . . 0.0 109.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.8 -138.08 47.67 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -177.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.7 t -85.45 -1.8 57.44 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.735 0.414 . . . . 0.0 111.103 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.4 ttp -91.08 126.64 36.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.332 0.653 . . . . 0.0 112.173 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 143.58 50.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.419 1.088 . . . . 0.0 108.859 172.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -157.3 153.11 26.9 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.871 0.305 . . . . 0.0 110.728 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.6 p -129.67 140.36 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.205 0.602 . . . . 0.0 109.692 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.291 79.5 m-85 -88.63 65.45 7.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -141.92 159.72 41.65 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.0 p -62.21 152.01 34.5 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.992 0.517 . . . . 0.0 111.85 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -142.36 -166.16 2.19 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.309 1.043 . . . . 0.0 110.237 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.589 ' H ' HD21 ' A' ' 123' ' ' LEU . 1.9 mm? -52.82 -26.11 13.5 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.492 1.117 . . . . 0.0 112.641 -174.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -154.61 -27.81 0.12 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.307 0.643 . . . . 0.0 111.647 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -71.92 149.07 45.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 172.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -146.42 154.01 41.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.2 t -163.9 151.39 12.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.612 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.79 169.63 16.34 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.992 0.425 . . . . 0.0 111.006 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -135.37 169.99 16.64 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.703 0.801 . . . . 0.0 111.032 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.41 124.91 46.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.0 t -103.07 143.23 32.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.71 141.65 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.3 m-85 -129.77 145.89 51.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.1 t -136.16 143.22 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.642 0.377 . . . . 0.0 111.856 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.3 144.81 49.92 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.22 141.96 57.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.436 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.82 115.43 7.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.546 0.338 . . . . 0.0 110.402 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -150.8 5.24 0.5 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -135.46 19.76 3.36 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.18 0.992 . . . . 0.0 111.067 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 83.52 165.05 37.57 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 86.0 p -71.16 147.76 48.03 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 121.165 0.507 . . . . 0.0 111.552 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.1 tt -84.03 -46.55 11.89 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.129 0.571 . . . . 0.0 110.446 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.8 t 59.67 131.19 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 126.001 1.72 . . . . 0.0 115.491 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -53.46 144.49 50.64 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.0 2.467 . . . . 0.0 112.069 176.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.433 -177.224 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 tpp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.694 -0.113 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -68.78 158.24 34.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 111.335 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.05 -5.69 87.13 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.992 -0.338 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.282 80.4 m-20 59.33 24.64 13.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -154.74 172.05 18.56 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.005 0.922 . . . . 0.0 109.869 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.96 157.53 15.86 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 28.3 t80 -61.47 130.39 45.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -175.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 86.54 4.37 83.17 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.874 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -61.0 146.32 47.51 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.364 1.082 . . . . 0.0 112.134 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 -15.49 16.16 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.098 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -82.97 115.68 21.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.632 1.216 . . . . 0.0 112.378 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -136.89 151.02 48.61 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 148.22 29.96 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.997 0.519 . . . . 0.0 109.824 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -130.75 127.84 39.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -157.59 156.29 4.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.716 0.806 . . . . 0.0 110.571 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.93 118.89 10.38 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 175.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.96 -17.26 62.67 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.3 tp -153.0 123.98 7.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 118.077 0.399 . . . . 0.0 110.119 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 t -119.78 148.42 22.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.504 1.121 . . . . 0.0 108.447 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.6 141.68 41.28 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.16 155.42 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.723 0.409 . . . . 0.0 111.261 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -87.48 157.99 19.06 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.88 -0.513 . . . . 0.0 109.813 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.57 142.08 50.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.173 -0.329 . . . . 0.0 111.578 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 6.62 67.66 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.823 -0.987 . . . . 0.0 114.364 175.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.07 172.29 13.28 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 175.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -92.18 167.07 12.3 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -170.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.43 156.53 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.406 1.082 . . . . 0.0 109.348 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -122.05 139.97 53.07 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.557 0.743 . . . . 0.0 109.725 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -132.41 89.76 35.68 Favored Pre-proline 0 C--O 1.232 0.178 0 C-N-CA 124.37 1.068 . . . . 0.0 110.917 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.76 140.48 42.8 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 123.081 2.521 . . . . 0.0 111.197 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.6 p -161.93 166.2 26.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.226 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -154.62 170.23 22.0 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 122.769 0.428 . . . . 0.0 110.958 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -138.9 169.66 17.39 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -147.02 149.93 34.1 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.687 0.795 . . . . 0.0 110.084 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.412 ' CD2' ' HE3' ' A' ' 115' ' ' MET . 12.0 p90 -152.07 157.4 34.13 Favored Pre-proline 0 N--CA 1.454 -0.239 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -173.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.33 159.32 53.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.292 2.661 . . . . 0.0 110.275 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.472 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.4 tt0 -80.14 -2.21 43.64 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -70.42 132.32 45.42 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.75 77.36 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.153 -0.804 . . . . 0.0 114.057 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.05 167.55 25.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.965 1.382 . . . . 0.0 112.302 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.88 167.2 19.35 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.11 -11.91 16.64 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.3 m -101.35 -6.02 24.63 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -77.36 146.14 73.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -71.25 160.06 50.03 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.869 3.046 . . . . 0.0 109.893 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.44 141.03 22.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -149.08 170.58 18.07 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.242 1.017 . . . . 0.0 110.461 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.56 160.07 28.03 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -149.43 171.61 16.29 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -174.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -135.77 149.89 49.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.288 1.035 . . . . 0.0 111.809 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -145.61 149.47 34.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -75.28 137.23 41.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.03 134.56 57.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 110.374 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.68 -4.31 85.87 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 118.859 -0.967 . . . . 0.0 113.533 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -83.64 -173.94 5.0 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.1 1.45 . . . . 0.0 107.616 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -115.92 98.34 50.91 Favored Pre-proline 0 CA--C 1.529 0.172 0 C-N-CA 123.07 0.548 . . . . 0.0 109.804 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -70.55 -15.46 34.13 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.027 2.485 . . . . 0.0 112.668 -170.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.294 15.9 p90 -87.36 -2.84 58.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 178.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -134.56 -29.7 1.17 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.133 0.173 . . . . 0.0 111.115 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -85.64 157.64 20.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.427 0.691 . . . . 0.0 110.705 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 150.94 83.39 Favored Pre-proline 0 CA--C 1.533 0.298 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -72.99 152.55 51.71 Favored 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 123.071 2.514 . . . . 0.0 110.302 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -81.44 -16.4 12.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.33 153.2 17.46 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.63 0.772 . . . . 0.0 109.46 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.0 t -161.14 162.12 31.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.677 0.275 . . . . 0.0 111.681 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -108.91 0.29 20.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.654 0.782 . . . . 0.0 110.78 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -68.83 129.67 92.22 Favored Pre-proline 0 N--CA 1.453 -0.315 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -71.55 -17.14 30.27 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.223 2.616 . . . . 0.0 113.094 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -114.84 -17.19 11.62 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.69 125.55 34.46 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -177.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.99 176.05 10.16 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.796 0.438 . . . . 0.0 110.679 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -124.57 176.33 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.586 0.754 . . . . 0.0 111.901 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -58.49 143.5 45.51 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 122.665 0.386 . . . . 0.0 110.954 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -20.94 66.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -83.3 -6.36 59.44 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.212 -0.305 . . . . 0.0 111.464 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p -126.39 -2.36 6.86 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -59.88 131.51 51.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.26 58.93 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.366 -0.686 . . . . 0.0 113.325 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.9 mtm105 -119.61 -36.21 3.38 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.692 1.246 . . . . 0.0 111.256 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -88.25 139.4 30.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 174.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -157.26 152.51 26.19 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.307 0.243 . . . . 0.0 110.574 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.8 mt -106.93 145.18 32.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.792 0.329 . . . . 0.0 110.475 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -118.01 168.65 10.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.104 0.961 . . . . 0.0 110.361 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.85 173.81 45.91 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.99 139.45 30.6 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -28.06 37.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.875 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -82.97 -11.76 57.87 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 122.703 0.401 . . . . 0.0 111.095 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -93.56 7.53 44.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.514 0.725 . . . . 0.0 110.131 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 58.03 28.46 16.31 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.813 0.845 . . . . 0.0 112.503 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -78.74 142.61 36.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.2 p -128.28 8.65 6.06 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 111.255 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -44.94 115.66 0.93 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.128 0.971 . . . . 0.0 111.796 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.8 tp -93.08 146.11 23.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.1 t -135.46 134.05 39.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 172.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -107.44 125.2 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -103.18 140.35 37.47 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 46.27 58.73 4.27 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 151.1 17.26 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -134.47 162.73 31.43 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 124.016 0.926 . . . . 0.0 109.668 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -58.43 -22.65 55.01 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -72.9 -20.89 60.99 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.528 0.731 . . . . 0.0 111.819 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.31 -11.94 60.16 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.571 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.9 tttt -64.96 131.7 47.32 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.187 0.595 . . . . 0.0 109.563 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.08 -151.92 23.38 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -140.62 154.84 46.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.06 0.544 . . . . 0.0 110.477 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -147.35 166.17 27.95 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -173.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -141.9 158.78 43.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.316 0.646 . . . . 0.0 110.011 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 24.0 t80 -96.66 154.33 17.35 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -130.9 133.61 46.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.698 0.399 . . . . 0.0 110.79 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.1 tp -102.9 144.78 30.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.185 0.994 . . . . 0.0 110.6 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -151.36 120.25 6.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.824 0.45 . . . . 0.0 109.871 173.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -153.61 130.65 11.04 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 123.91 0.884 . . . . 0.0 108.978 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.16 -138.29 45.71 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -176.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.2 m -84.84 -1.52 56.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.071 0.436 . . . . 0.0 111.801 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.412 ' HE3' ' CD2' ' A' ' 35' ' ' TYR . 44.3 ttp -91.84 135.27 34.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.573 0.749 . . . . 0.0 111.164 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -142.13 145.7 34.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.867 1.267 . . . . 0.0 109.451 177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.403 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.7 t-105 -157.05 156.91 33.66 Favored 'General case' 0 C--O 1.23 0.042 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.0 t -128.57 132.96 48.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.452 0.701 . . . . 0.0 110.141 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.297 79.5 m-85 -86.39 67.63 9.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -173.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -144.71 163.67 33.3 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.301 0.64 . . . . 0.0 109.689 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.6 p -61.87 146.81 48.62 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 122.594 0.358 . . . . 0.0 111.367 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -145.93 -171.37 3.69 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.542 1.137 . . . . 0.0 110.6 -175.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.601 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.2 mm? -61.16 -31.05 70.79 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.836 0.854 . . . . 0.0 112.709 -170.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -139.48 12.64 2.55 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 123.267 0.627 . . . . 0.0 110.565 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.26 12.6 t80 -133.79 148.28 51.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -174.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.19 143.17 29.09 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.6 0.238 . . . . 0.0 110.534 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -158.32 158.61 34.69 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.959 0.504 . . . . 0.0 110.32 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.486 ' HB3' ' HZ1' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -76.68 169.19 18.74 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 121.055 0.455 . . . . 0.0 111.191 -178.603 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -137.31 165.51 26.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.935 0.894 . . . . 0.0 110.431 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.54 126.98 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.8 t -105.91 143.06 34.59 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.28 139.02 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.571 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.2 m-85 -127.78 146.92 50.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.29 143.46 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.316 0.646 . . . . 0.0 111.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.87 145.61 48.44 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.81 141.0 58.93 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 110.962 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.62 111.28 8.61 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.0 t -154.97 -1.2 0.16 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -150.34 2.03 0.47 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.58 -165.94 34.68 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.3 p -152.15 152.47 32.33 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.795 0.438 . . . . 0.0 109.908 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.1 tt -81.8 -59.62 2.53 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 122.418 0.287 . . . . 0.0 110.88 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.4 t 58.61 127.09 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.07 156.36 34.56 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.981 2.454 . . . . 0.0 112.833 176.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.555 -1.212 . . . . 0.0 110.36 178.511 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 tpp . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -66.54 155.73 36.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 111.182 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.28 2.38 62.72 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -151.69 23.48 0.69 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -80.77 176.18 10.03 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.118 0.567 . . . . 0.0 109.831 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -138.52 166.72 23.59 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.66 128.35 29.06 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 -171.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.4 -0.91 83.8 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.834 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.3 146.72 38.53 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.97 -15.84 19.1 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 123.615 0.626 . . . . 0.0 112.906 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.6 119.08 24.79 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.2 1.0 . . . . 0.0 112.989 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -138.88 150.81 46.39 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.609 0.364 . . . . 0.0 110.758 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.22 146.92 28.88 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.836 0.454 . . . . 0.0 110.354 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -127.69 128.98 46.37 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.271 0.628 . . . . 0.0 109.548 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -160.29 156.79 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.516 0.726 . . . . 0.0 110.773 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.32 120.22 12.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -67.97 -20.91 65.08 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -174.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -153.85 123.67 6.78 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 118.043 0.383 . . . . 0.0 110.343 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 t -118.77 147.88 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 124.456 1.102 . . . . 0.0 108.282 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.66 140.68 40.97 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -154.59 154.31 7.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.738 0.415 . . . . 0.0 111.455 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -85.85 157.95 20.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.988 -0.445 . . . . 0.0 109.901 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.69 141.26 49.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.249 -0.282 . . . . 0.0 111.034 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.77 6.65 63.58 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.021 -0.877 . . . . 0.0 114.968 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.98 175.71 10.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.858 1.329 . . . . 0.0 111.707 176.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -91.53 168.43 11.52 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -169.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.6 154.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.653 1.181 . . . . 0.0 109.26 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -119.39 139.63 51.69 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.693 0.797 . . . . 0.0 110.018 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -134.17 90.54 25.45 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.173 0.989 . . . . 0.0 111.561 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -65.13 147.55 88.53 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.464 2.776 . . . . 0.0 111.478 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.8 t -157.39 150.73 23.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.563 0.745 . . . . 0.0 110.802 -175.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -151.95 162.81 40.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.385 0.674 . . . . 0.0 111.013 176.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -140.97 170.31 15.98 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -147.19 145.95 29.67 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.818 0.847 . . . . 0.0 109.865 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -153.44 155.57 31.74 Favored Pre-proline 0 C--O 1.232 0.177 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.37 157.79 60.1 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.38 2.72 . . . . 0.0 110.479 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.3 tt0 -79.16 -1.25 35.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.995 0.518 . . . . 0.0 112.13 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.07 130.13 42.19 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.49 4.63 80.03 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.164 -0.798 . . . . 0.0 114.508 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.0 p-90 -150.86 164.77 35.47 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.045 1.422 . . . . 0.0 112.835 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 168.29 17.02 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.63 -12.08 30.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -97.42 -11.87 23.39 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.01 0.524 . . . . 0.0 111.519 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.19 147.91 93.63 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.55 163.12 39.48 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.802 3.001 . . . . 0.0 110.385 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.53 142.63 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -147.75 161.34 41.43 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.932 0.893 . . . . 0.0 110.261 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.43 156.86 27.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -151.72 170.98 18.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -175.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -135.38 145.85 47.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.606 1.162 . . . . 0.0 111.197 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -141.29 150.87 43.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -76.09 136.91 39.87 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.1 134.92 53.07 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.975 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.61 -9.13 72.32 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 118.957 -0.913 . . . . 0.0 113.911 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 p30 -82.06 -179.18 7.3 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.365 1.582 . . . . 0.0 107.715 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -104.19 123.33 41.1 Favored Pre-proline 0 CA--C 1.529 0.163 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 173.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -72.99 -3.9 14.46 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.729 2.286 . . . . 0.0 111.964 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.294 9.3 p90 -122.35 7.69 9.63 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -133.96 2.69 3.4 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.774 0.43 . . . . 0.0 110.83 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -149.75 163.1 38.89 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.59 150.4 73.01 Favored Pre-proline 0 N--CA 1.455 -0.211 0 C-N-CA 122.964 0.505 . . . . 0.0 111.358 -176.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.83 156.62 62.71 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.685 2.923 . . . . 0.0 110.169 173.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -85.64 -15.78 10.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.46 144.93 9.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.495 0.718 . . . . 0.0 110.316 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -168.91 165.13 11.65 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.469 0.708 . . . . 0.0 110.789 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.26 -5.14 11.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.409 0.684 . . . . 0.0 112.054 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.436 HD22 ' HB3' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -72.52 154.38 91.64 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.69 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -84.97 -12.96 6.85 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 124.18 3.253 . . . . 0.0 113.034 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -99.32 -4.68 31.2 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 117.456 2.391 . . . . 0.0 117.456 -171.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HB3' HD22 ' A' ' 67' ' ' ASN . 10.7 tpt180 -142.34 124.45 15.4 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.005 0.522 . . . . 0.0 110.347 -176.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -84.98 178.55 7.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.293 0.637 . . . . 0.0 110.441 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.11 171.87 2.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -58.63 146.85 34.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.487 0.715 . . . . 0.0 111.709 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.8 64.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -85.93 -11.21 53.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.107 0.412 . . . . 0.0 111.141 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.453 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -113.66 -1.7 13.96 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -60.47 131.5 50.95 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.53 1.62 52.97 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 118.739 -1.034 . . . . 0.0 113.504 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -120.65 -35.83 3.3 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.932 1.366 . . . . 0.0 112.315 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.453 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -83.82 140.25 32.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -156.74 146.49 20.82 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.5 mt -99.35 141.76 31.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.9 mt -113.45 -9.57 13.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.666 0.386 . . . . 0.0 111.387 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.06 143.07 22.82 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.08 127.03 31.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -24.85 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.556 0.343 . . . . 0.0 111.248 -177.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -89.93 6.06 43.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.157 0.583 . . . . 0.0 111.729 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -123.77 14.77 9.37 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.737 0.815 . . . . 0.0 110.687 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 57.53 24.23 10.11 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.121 0.969 . . . . 0.0 112.995 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -89.8 152.5 21.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.419 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 1.8 p -135.0 16.7 3.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.725 0.81 . . . . 0.0 111.921 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -52.16 134.76 32.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.756 0.422 . . . . 0.0 111.335 -175.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -119.36 151.56 38.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.319 1.048 . . . . 0.0 109.082 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.6 t -141.85 141.67 33.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.93 124.71 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -102.27 142.15 33.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 46.33 57.38 5.4 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.55 149.8 13.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -139.3 166.63 24.04 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.759 0.824 . . . . 0.0 109.874 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.61 -13.26 20.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -75.75 -16.48 60.12 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.907 0.483 . . . . 0.0 111.748 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -84.47 -14.76 48.28 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.6 0.36 . . . . 0.0 111.486 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.563 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -67.28 133.33 49.48 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.59 -149.44 21.38 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.9 m -141.26 153.59 45.31 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 123.061 0.545 . . . . 0.0 110.295 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -147.54 164.91 31.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -141.61 156.75 45.66 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.178 0.591 . . . . 0.0 109.647 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -92.05 154.57 18.67 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -130.72 130.26 43.58 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.534 0.333 . . . . 0.0 110.161 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.7 tp -100.64 144.8 29.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.772 0.829 . . . . 0.0 110.472 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -148.1 118.77 7.5 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.73 0.412 . . . . 0.0 110.066 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -153.84 131.95 11.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.351 0.66 . . . . 0.0 109.348 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.15 -140.78 47.7 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.5 p -83.82 -6.13 59.36 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.243 -0.563 . . . . 0.0 110.85 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -89.53 139.72 30.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.243 0.617 . . . . 0.0 112.14 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -143.56 142.13 30.97 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.251 1.42 . . . . 0.0 108.786 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -152.57 149.54 28.59 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.0 m -120.17 133.22 55.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.113 0.565 . . . . 0.0 110.652 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.325 75.8 m-85 -83.53 62.74 6.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -174.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -141.53 156.73 45.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.3 m -65.2 153.35 41.21 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.798 0.439 . . . . 0.0 111.481 -177.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -147.59 -167.1 2.7 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.556 0.742 . . . . 0.0 110.433 -175.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -51.7 -37.88 52.71 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -175.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -136.51 12.05 3.22 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.101 0.56 . . . . 0.0 111.243 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.287 39.0 t80 -126.01 151.43 47.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -173.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -145.67 134.03 21.85 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 123.145 0.578 . . . . 0.0 111.077 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.3 t -157.28 144.04 18.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.0 0.92 . . . . 0.0 109.199 172.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -70.42 167.16 18.84 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 121.384 0.611 . . . . 0.0 111.346 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.8 171.06 13.98 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.931 0.892 . . . . 0.0 111.062 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.5 129.31 46.44 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.554 0.742 . . . . 0.0 109.011 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 t -108.63 143.15 38.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 172.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 51.5 t -128.74 141.57 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.04 0.536 . . . . 0.0 109.723 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.563 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.5 m-85 -130.48 146.16 51.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.46 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.842 0.457 . . . . 0.0 111.324 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.4 142.36 48.32 Favored 'General case' 0 N--CA 1.458 -0.066 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.62 58.67 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.749 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.2 120.8 16.42 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -145.18 -18.06 0.49 Allowed 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 177.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -160.97 137.18 8.36 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.408 0.683 . . . . 0.0 109.227 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.67 -175.27 9.95 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 123.127 0.394 . . . . 0.0 113.081 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.3 t -160.98 149.7 16.37 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.903 0.881 . . . . 0.0 109.24 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.9 tt -79.15 -53.2 7.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -175.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.3 t 46.57 87.71 0.11 Allowed Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -70.05 163.12 39.66 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.639 2.893 . . . . 0.0 110.773 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 . . . . . 0 C--O 1.252 1.192 0 CA-C-O 117.146 -1.407 . . . . 0.0 110.977 179.613 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.46 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.868 0 CA-C-O 119.416 -0.658 . . . . 0.0 113.358 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.88 149.5 31.34 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.36 -15.68 8.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.593 0.616 . . . . 0.0 112.853 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -82.68 114.79 21.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.254 1.027 . . . . 0.0 113.625 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 mt -136.15 151.12 49.43 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.71 0.404 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -148.29 148.23 30.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -130.36 126.37 36.95 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.9 p -156.87 156.98 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.636 . . . . 0.0 110.481 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.2 116.8 7.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -69.89 -16.43 63.23 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -173.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -152.9 123.65 7.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.32 0.509 . . . . 0.0 110.038 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.39 148.59 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.483 1.113 . . . . 0.0 108.238 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.43 140.48 41.31 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.16 155.17 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.056 0 C-N-CA 122.775 0.43 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -87.45 157.22 19.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.122 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.68 140.29 51.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.389 0.276 . . . . 0.0 111.103 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.39 3.84 64.66 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 119.013 -0.882 . . . . 0.0 114.469 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.52 174.6 10.8 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.202 1.501 . . . . 0.0 111.489 177.409 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -91.89 168.28 11.54 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -156.7 156.1 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 124.624 1.17 . . . . 0.0 108.961 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -120.53 141.98 49.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.326 0.65 . . . . 0.0 110.275 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -134.58 88.86 27.83 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 123.69 0.796 . . . . 0.0 111.044 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.23 143.23 43.37 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.857 2.372 . . . . 0.0 111.383 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.4 p -161.44 166.71 26.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.759 0.314 . . . . 0.0 111.658 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -153.84 166.43 32.94 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.284 0.634 . . . . 0.0 111.061 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -141.48 169.35 17.77 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.3 m -142.54 148.54 37.75 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.038 0.935 . . . . 0.0 109.872 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -152.19 155.98 33.56 Favored Pre-proline 0 N--CA 1.457 -0.112 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.78 157.45 61.17 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.025 2.484 . . . . 0.0 110.193 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.66 -1.32 41.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.198 0.599 . . . . 0.0 111.95 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.4 139.69 55.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 4.44 89.86 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.017 -0.879 . . . . 0.0 114.455 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.85 167.26 27.08 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.293 1.546 . . . . 0.0 112.228 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.56 166.51 21.24 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -62.65 -9.15 8.06 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.1 p -110.21 -3.07 16.5 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.763 0.425 . . . . 0.0 111.949 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.96 147.09 88.25 Favored Pre-proline 0 N--CA 1.453 -0.283 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.39 160.89 47.35 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.702 2.935 . . . . 0.0 110.203 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.24 146.09 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.72 0.408 . . . . 0.0 110.408 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -148.8 166.74 27.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.879 1.271 . . . . 0.0 110.088 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.97 159.49 27.41 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -151.77 169.36 22.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -134.63 146.35 49.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.741 1.216 . . . . 0.0 111.041 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -143.27 154.65 44.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.68 0.392 . . . . 0.0 110.537 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -73.87 153.42 39.88 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 O-C-N 121.297 -0.877 . . . . 0.0 109.492 176.337 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -71.72 158.34 53.52 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.724 2.949 . . . . 0.0 110.367 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.9 -16.83 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.38 150.91 14.78 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.991 0.916 . . . . 0.0 109.355 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.0 t -161.44 165.27 29.02 Favored 'General case' 0 C--O 1.228 -0.064 0 C-N-CA 122.679 0.392 . . . . 0.0 111.98 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -116.86 -2.33 11.84 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.39 0.676 . . . . 0.0 110.725 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.265 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.32 167.45 24.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.411 0.684 . . . . 0.0 111.985 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -58.94 146.44 37.83 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.071 0.548 . . . . 0.0 111.138 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.32 -20.89 64.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.226 -0.297 . . . . 0.0 111.614 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -86.28 -10.47 54.48 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.957 0.344 . . . . 0.0 111.038 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.4 p -117.19 -5.35 11.36 Favored 'General case' 0 C--N 1.342 0.255 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -59.35 129.97 44.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.555 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.91 3.66 69.01 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.018 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -125.13 -33.67 2.85 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.454 1.127 . . . . 0.0 112.44 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -91.63 141.22 28.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 174.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -157.25 149.6 22.92 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.11 0.164 . . . . 0.0 110.635 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.5 mt -101.78 144.63 30.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.6 mt -118.76 177.49 4.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.635 0.774 . . . . 0.0 110.206 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.08 -155.04 41.86 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -133.6 128.03 34.3 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -64.56 -30.17 49.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.987 0.515 . . . . 0.0 111.402 -177.368 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.12 -3.44 45.48 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.609 0.364 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -110.94 13.02 22.16 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.21 1.004 . . . . 0.0 109.709 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 60.73 23.72 13.6 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.837 1.255 . . . . 0.0 113.389 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -76.22 145.11 40.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.841 0.292 . . . . 0.0 111.635 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.8 p -126.88 10.79 7.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 123.217 0.607 . . . . 0.0 111.473 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -46.99 132.95 11.63 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.763 0.825 . . . . 0.0 111.823 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.3 tp -118.49 148.16 42.89 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.915 0.886 . . . . 0.0 108.848 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 136.76 36.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.749 0.309 . . . . 0.0 110.463 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.78 132.15 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -114.04 141.72 47.08 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.1 t0 49.03 58.95 4.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.43 148.5 27.9 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 111.731 -174.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -136.95 165.47 25.91 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.424 0.69 . . . . 0.0 109.649 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -61.45 -18.27 58.19 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -77.24 -14.61 59.73 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -78.98 -15.36 58.38 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.7 tttt -65.92 131.08 45.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.18 -150.58 22.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 m -139.81 153.06 47.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.075 0.55 . . . . 0.0 110.611 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -147.09 165.41 30.02 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.11 156.8 45.92 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -92.14 154.59 18.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -133.46 133.91 42.88 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.616 0.367 . . . . 0.0 110.895 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.8 tp -106.43 146.38 30.59 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.408 1.083 . . . . 0.0 110.19 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -150.46 120.8 7.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -152.5 130.64 11.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.926 0.891 . . . . 0.0 109.292 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.43 47.48 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -82.19 -7.77 59.63 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.914 0.357 . . . . 0.0 111.536 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -91.58 142.84 27.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.295 0.638 . . . . 0.0 111.985 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -153.74 147.52 25.33 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.531 0.733 . . . . 0.0 109.572 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.46 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 66.0 t-105 -150.75 143.73 24.68 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.499 0.19 . . . . 0.0 111.49 -174.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -107.1 129.91 54.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.063 0.545 . . . . 0.0 110.217 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.278 78.9 m-85 -82.78 61.68 5.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -141.63 165.14 28.32 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.982 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 123.069 0.548 . . . . 0.0 112.006 -178.128 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.274 16.4 t80 . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.12 143.74 29.54 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-O 120.659 0.266 . . . . 0.0 111.219 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.6 t -158.76 162.23 37.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.664 0.786 . . . . 0.0 110.491 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.07 171.22 15.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.043 0.537 . . . . 0.0 110.824 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -139.77 165.8 26.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.904 0.882 . . . . 0.0 110.48 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.6 tp -100.49 128.66 46.49 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 t -107.6 143.13 36.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.55 141.25 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.935 0.494 . . . . 0.0 109.729 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.4 m-85 -129.28 147.35 51.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.04 143.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.938 0.495 . . . . 0.0 111.317 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.04 142.31 46.34 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.71 58.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 111.015 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.527 0.837 0 CA-C-O 119.705 -0.497 . . . . 0.0 112.868 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -56.52 141.39 42.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.371 1.085 . . . . 0.0 113.664 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.78 -15.7 40.88 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.085 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -84.27 117.06 23.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.167 0.984 . . . . 0.0 112.93 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -137.64 151.6 48.46 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.005 0.366 . . . . 0.0 110.903 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.37 147.65 29.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -129.57 126.88 39.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.952 0.501 . . . . 0.0 109.714 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -156.8 156.79 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -66.05 117.34 8.25 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -67.41 -18.7 65.21 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.47 124.55 7.41 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.271 0.487 . . . . 0.0 110.248 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -120.79 149.81 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 124.531 1.133 . . . . 0.0 108.254 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.74 140.83 40.9 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -153.08 156.05 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.991 0.516 . . . . 0.0 111.299 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -89.5 156.76 18.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.953 -0.467 . . . . 0.0 110.246 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -69.12 142.09 54.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.376 -0.202 . . . . 0.0 110.727 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.92 3.77 65.61 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.842 -0.976 . . . . 0.0 114.937 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -147.35 173.94 12.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.292 1.546 . . . . 0.0 111.716 178.483 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -91.94 168.14 11.62 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.56 155.88 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.756 1.222 . . . . 0.0 108.894 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.46 141.71 48.9 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 110.317 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.51 87.65 26.33 Favored Pre-proline 0 CA--C 1.53 0.19 0 C-N-CA 124.079 0.951 . . . . 0.0 111.007 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.46 143.19 46.76 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.113 2.542 . . . . 0.0 111.255 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.5 p -161.79 167.0 25.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 111.522 178.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -153.84 169.21 23.94 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 122.923 0.489 . . . . 0.0 111.245 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -139.4 172.52 12.69 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -147.77 148.64 31.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.832 0.853 . . . . 0.0 110.256 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -154.36 156.24 31.54 Favored Pre-proline 0 CA--C 1.529 0.137 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -67.28 158.2 58.11 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.318 2.679 . . . . 0.0 110.195 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -80.13 -1.92 42.31 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.83 132.23 46.44 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.27 75.6 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.231 -0.761 . . . . 0.0 114.343 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.3 p-90 -150.5 167.03 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.783 1.292 . . . . 0.0 112.512 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 167.37 18.97 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.57 -11.42 16.5 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -103.76 -6.08 21.84 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.091 0.557 . . . . 0.0 112.327 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -75.41 145.78 80.05 Favored Pre-proline 0 N--CA 1.453 -0.3 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -71.35 159.88 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.84 3.026 . . . . 0.0 110.047 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.36 144.48 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 122.686 0.394 . . . . 0.0 110.249 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -148.98 165.39 31.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.733 1.213 . . . . 0.0 109.906 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.85 160.48 26.64 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -150.04 167.86 25.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -135.01 146.51 49.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.755 1.222 . . . . 0.0 111.415 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -144.5 152.22 40.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.694 0.398 . . . . 0.0 111.033 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -73.49 146.11 45.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.45 155.89 59.14 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.933 2.422 . . . . 0.0 110.252 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 m -82.46 -17.49 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 O-C-N 122.274 -0.266 . . . . 0.0 111.02 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.51 152.91 12.57 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.331 1.052 . . . . 0.0 109.137 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 t -160.74 155.82 24.4 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.352 0.524 . . . . 0.0 111.822 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -89.14 -16.43 31.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.021 0.529 . . . . 0.0 110.618 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -177.5 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.33 172.24 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.048 0.539 . . . . 0.0 111.943 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -58.68 144.98 41.64 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.574 0.35 . . . . 0.0 111.048 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.96 -23.62 65.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.414 0.286 . . . . 0.0 111.728 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.87 -14.61 53.93 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.12 0.418 . . . . 0.0 111.18 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -110.41 -0.3 17.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -60.78 125.06 22.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 1.73 60.38 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.281 -0.733 . . . . 0.0 113.671 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -118.18 -28.58 5.79 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.55 1.175 . . . . 0.0 112.218 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.447 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -96.18 141.26 29.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.36 148.5 23.24 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.41 143.55 32.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.6 mt -116.47 177.42 4.7 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.743 0.817 . . . . 0.0 110.008 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.69 -149.23 36.29 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -142.62 128.88 19.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -23.65 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 O-C-N 122.166 -0.334 . . . . 0.0 111.713 -176.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -79.09 -8.89 59.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.659 0.384 . . . . 0.0 110.687 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -105.01 12.39 32.33 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.101 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 60.1 23.9 13.15 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.449 1.099 . . . . 0.0 113.424 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -83.75 146.56 28.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.1 p -128.43 10.48 6.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.473 0.709 . . . . 0.0 111.79 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.6 m -45.28 130.7 8.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.08 0.952 . . . . 0.0 111.918 -171.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.9 tp -114.56 148.4 38.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.978 0.911 . . . . 0.0 109.128 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -139.02 136.07 34.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.74 133.58 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -115.89 140.6 49.07 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.9 t0 48.74 60.05 3.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.86 148.67 33.93 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.56 0.344 . . . . 0.0 111.679 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -139.7 164.0 31.09 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.79 0.836 . . . . 0.0 109.227 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -60.25 -15.26 23.15 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.47 -14.3 59.43 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 122.653 0.381 . . . . 0.0 111.897 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -80.55 -15.63 56.19 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.617 ' HE2' ' CD2' ' A' ' 133' ' ' PHE . 64.2 tttm -65.23 130.46 43.43 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.39 -151.48 23.05 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -139.25 152.26 47.15 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.701 0.8 . . . . 0.0 110.408 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -146.62 164.39 32.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -141.18 158.63 43.65 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -96.05 154.69 17.11 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -132.07 133.49 44.41 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 122.681 0.392 . . . . 0.0 110.928 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 tp -104.55 144.99 30.93 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.938 0.895 . . . . 0.0 110.568 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.52 120.37 7.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 122.914 0.486 . . . . 0.0 109.837 173.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -153.97 131.05 11.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.06 -138.86 47.03 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -82.71 -4.88 58.49 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.469 0.308 . . . . 0.0 111.38 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.6 ttp -88.89 138.85 31.03 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.537 0.735 . . . . 0.0 111.969 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.31 144.8 31.64 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 173.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.419 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.3 t-105 -156.42 146.36 21.14 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 117.691 0.223 . . . . 0.0 110.692 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -115.28 129.05 56.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.701 0.4 . . . . 0.0 109.97 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.287 81.1 m-85 -80.08 59.57 3.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -136.53 157.93 45.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.682 0.793 . . . . 0.0 109.583 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 120.773 0.321 . . . . 0.0 111.239 -179.583 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.2 142.73 28.7 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 122.42 0.288 . . . . 0.0 110.566 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -157.68 161.7 38.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.243 0.617 . . . . 0.0 110.555 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -75.72 170.66 15.76 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.17 0.509 . . . . 0.0 110.552 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -139.18 165.74 26.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.129 0.972 . . . . 0.0 110.539 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.2 tp -100.69 120.58 40.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.7 t -98.93 142.83 29.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.6 t -128.02 140.4 49.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 122.919 0.488 . . . . 0.0 109.737 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.617 ' CD2' ' HE2' ' A' ' 103' ' ' LYS . 30.2 m-85 -128.38 149.76 50.39 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 115.686 1.735 . . . . 0.0 115.686 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.2 143.12 37.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 122.896 0.479 . . . . 0.0 111.66 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.7 m -133.06 141.69 48.36 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.24 141.52 58.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.017 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 CA-C-O 119.359 -0.69 . . . . 0.0 113.455 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -67.15 152.32 45.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.901 1.35 . . . . 0.0 107.984 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.23 -15.74 37.67 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 123.832 0.73 . . . . 0.0 112.797 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -84.72 118.56 24.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.143 0.972 . . . . 0.0 112.66 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 mt -136.02 150.41 49.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 122.382 0.273 . . . . 0.0 110.534 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -148.42 147.71 29.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.443 0.297 . . . . 0.0 110.285 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -131.4 128.74 40.2 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.452 0.701 . . . . 0.0 109.316 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -160.0 156.72 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.591 0.756 . . . . 0.0 110.701 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.94 119.05 9.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.06 -18.31 62.57 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -152.02 123.78 7.95 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.177 0.444 . . . . 0.0 109.992 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -119.43 148.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.313 1.045 . . . . 0.0 108.218 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.24 141.13 42.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.98 153.39 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.593 0.357 . . . . 0.0 111.96 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -84.44 156.94 21.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -72.85 142.51 47.97 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.451 0.3 . . . . 0.0 110.905 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.0 6.36 65.23 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.09 -0.839 . . . . 0.0 114.737 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.74 171.1 14.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.006 1.403 . . . . 0.0 111.55 176.602 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -92.57 166.09 12.68 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.824 0.85 . . . . 0.0 113.197 -170.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.7 155.26 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.376 1.07 . . . . 0.0 109.747 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -117.08 140.22 49.76 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.978 0.911 . . . . 0.0 110.102 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.94 90.62 31.22 Favored Pre-proline 0 N--CA 1.456 -0.161 0 C-N-CA 124.525 1.13 . . . . 0.0 111.166 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.75 147.16 85.39 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.306 2.671 . . . . 0.0 111.492 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.6 t -156.97 148.35 22.21 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.564 0.746 . . . . 0.0 110.468 -176.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.3 p -151.44 162.0 41.72 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.225 0.61 . . . . 0.0 110.115 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -148.68 174.43 12.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -146.63 150.78 36.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.731 0.813 . . . . 0.0 109.94 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.39 154.52 32.09 Favored Pre-proline 0 CA--C 1.53 0.19 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.78 155.62 69.72 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.059 2.506 . . . . 0.0 110.166 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.463 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -78.09 1.82 19.89 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.159 0.583 . . . . 0.0 112.415 -176.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.77 128.29 35.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.96 7.47 80.73 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.904 -0.942 . . . . 0.0 114.341 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.8 p-90 -151.29 168.49 24.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.182 1.491 . . . . 0.0 112.96 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 167.62 18.21 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -63.23 -4.46 2.51 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -120.87 -1.63 9.89 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 122.962 0.505 . . . . 0.0 112.074 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 92.0 m-20 -72.09 143.79 86.66 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 48.6 Cg_exo -58.79 156.01 34.97 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.471 2.781 . . . . 0.0 111.63 175.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.99 145.04 20.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 122.714 0.406 . . . . 0.0 110.368 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -149.39 165.22 32.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.803 0.841 . . . . 0.0 110.763 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.04 157.73 26.53 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -151.26 171.27 17.7 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -138.59 146.44 41.8 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.568 1.147 . . . . 0.0 111.407 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -143.23 152.31 41.57 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.782 0.433 . . . . 0.0 111.036 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -70.54 145.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.25 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.069 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.36 154.59 65.22 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.115 2.544 . . . . 0.0 110.403 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.47 -16.51 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 O-C-N 122.23 -0.294 . . . . 0.0 111.662 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.13 148.62 11.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.978 0.911 . . . . 0.0 109.812 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -162.11 158.39 24.7 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 122.395 0.278 . . . . 0.0 111.097 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -106.53 -1.15 23.32 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.775 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.627 0.251 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.29 167.83 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 123.642 0.777 . . . . 0.0 111.642 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.19 146.76 37.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.798 0.439 . . . . 0.0 111.155 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -20.89 64.07 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -86.39 -7.22 58.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.836 0.289 . . . . 0.0 111.669 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.458 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -120.78 -5.96 9.64 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -59.04 132.25 53.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.709 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.37 1.68 71.02 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.191 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -126.37 -35.08 2.42 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.699 1.25 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.458 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -84.65 140.37 31.38 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -156.84 146.57 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.263 0.225 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.0 mt -97.36 145.28 26.29 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.82 173.78 6.45 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.28 0.632 . . . . 0.0 110.199 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.83 -154.57 37.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -132.64 131.25 41.17 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 pt -65.92 -28.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 123.149 0.579 . . . . 0.0 111.39 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -80.18 -9.13 59.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.109 0.163 . . . . 0.0 111.238 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t -102.31 10.76 38.94 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.27 1.028 . . . . 0.0 110.263 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 59.31 30.74 20.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.183 0.993 . . . . 0.0 112.473 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -82.04 145.07 30.41 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.436 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.0 p -131.43 15.64 4.98 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.351 0.66 . . . . 0.0 110.844 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.7 m -54.12 141.29 29.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.343 0.657 . . . . 0.0 111.165 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.4 tp -126.34 148.57 49.54 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.012 0.925 . . . . 0.0 108.936 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -138.99 138.95 37.72 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.42 124.75 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -101.33 139.12 37.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 45.5 59.74 3.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.05 14.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -134.63 166.05 23.81 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.936 0.894 . . . . 0.0 109.616 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -60.82 -17.97 52.88 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -74.67 -15.26 60.81 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.223 0.609 . . . . 0.0 111.963 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -82.81 -12.93 57.09 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.47 131.47 45.74 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.4 -155.29 26.05 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -136.6 151.91 49.87 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.949 0.499 . . . . 0.0 110.318 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -148.21 165.31 31.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -140.39 156.56 46.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.292 0.637 . . . . 0.0 111.05 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -88.29 154.62 20.27 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -138.89 148.06 43.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.084 -0.385 . . . . 0.0 110.728 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.74 143.37 50.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.805 0.842 . . . . 0.0 111.916 -170.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -140.8 129.99 23.55 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.693 0.797 . . . . 0.0 109.511 169.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -154.34 129.6 9.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.44 47.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 t -79.11 -12.42 60.0 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.722 -0.281 . . . . 0.0 110.915 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -86.66 143.08 27.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.336 0.654 . . . . 0.0 112.457 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 144.63 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.298 1.039 . . . . 0.0 108.618 173.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -153.77 159.66 42.0 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.098 0.159 . . . . 0.0 110.573 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.6 t -133.53 134.81 43.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.248 0.619 . . . . 0.0 110.031 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.29 79.8 m-85 -85.31 61.59 6.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -136.62 163.7 29.94 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.497 0.719 . . . . 0.0 110.123 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 122.574 0.35 . . . . 0.0 110.979 179.002 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 19.0 t80 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -146.22 144.38 29.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.766 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.8 t -158.62 160.68 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.959 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.15 171.1 15.08 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.949 0.499 . . . . 0.0 111.054 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -138.71 163.7 31.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.67 0.788 . . . . 0.0 110.31 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.52 133.73 44.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.68 143.21 44.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.0 t -127.52 140.31 49.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 C-N-CA 122.91 0.484 . . . . 0.0 109.789 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.7 m-85 -129.25 146.08 51.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.68 143.19 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 122.775 0.43 . . . . 0.0 111.483 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -133.01 141.08 48.09 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.48 140.82 58.91 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.479 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -179.012 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.436 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.529 0.942 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.548 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.07 149.27 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.21 -15.5 6.78 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.63 0.633 . . . . 0.0 112.971 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -83.72 121.72 27.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.054 0.927 . . . . 0.0 112.458 176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -140.0 158.47 44.01 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.767 0.427 . . . . 0.0 110.324 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.6 145.71 32.72 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.063 0.545 . . . . 0.0 109.693 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -131.42 115.92 16.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -155.82 154.3 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.171 0.588 . . . . 0.0 110.955 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.1 118.78 11.71 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.73 -19.57 65.16 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -153.79 124.97 7.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.236 0.471 . . . . 0.0 110.042 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.6 t -120.74 149.92 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.309 1.043 . . . . 0.0 108.309 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.55 139.92 40.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 177.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.1 153.54 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.796 0.438 . . . . 0.0 111.881 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -84.75 158.21 20.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.018 0.437 . . . . 0.0 109.92 174.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -73.86 140.13 45.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.508 0.323 . . . . 0.0 110.929 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.85 6.24 63.76 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 119.011 -0.883 . . . . 0.0 114.688 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.67 175.19 10.56 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.988 1.394 . . . . 0.0 111.853 178.144 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.6 m -92.72 165.43 12.95 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.84 155.71 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.389 1.076 . . . . 0.0 109.108 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -118.55 140.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.58 0.752 . . . . 0.0 110.047 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.1 89.55 28.39 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 123.818 0.847 . . . . 0.0 110.461 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.29 142.96 46.9 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.174 2.583 . . . . 0.0 111.244 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -161.45 166.78 26.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.038 0.446 . . . . 0.0 111.327 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -152.2 171.06 18.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.138 0.575 . . . . 0.0 110.977 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -140.49 170.35 15.96 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -147.34 150.16 34.21 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.098 0.559 . . . . 0.0 109.855 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -154.09 156.03 31.57 Favored Pre-proline 0 CA--C 1.529 0.16 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -174.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.54 158.63 56.89 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.122 2.548 . . . . 0.0 110.016 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.456 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -79.1 -1.11 34.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.249 0.62 . . . . 0.0 111.952 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.87 129.21 38.91 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.75 4.56 69.69 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 119.071 -0.85 . . . . 0.0 114.214 174.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.68 166.57 30.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.99 1.395 . . . . 0.0 112.419 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.13 167.66 18.76 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -62.97 -12.18 23.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -99.87 -6.28 27.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.99 0.516 . . . . 0.0 112.219 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.35 146.26 73.82 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.44 161.74 43.4 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.801 3.001 . . . . 0.0 110.024 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -144.99 144.97 21.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.929 0.395 . . . . 0.0 110.442 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -148.93 165.27 32.08 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.773 1.229 . . . . 0.0 110.038 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.66 158.85 27.17 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -150.02 172.01 15.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -136.37 146.42 46.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.303 1.041 . . . . 0.0 111.533 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.72 148.74 37.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -75.93 137.57 40.44 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.28 -177.233 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -71.91 153.58 58.33 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 122.941 2.427 . . . . 0.0 109.932 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.94 -16.33 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.28 15.51 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.021 0.929 . . . . 0.0 109.485 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -161.79 164.66 28.74 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.587 0.355 . . . . 0.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -115.24 -2.04 12.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.536 0.735 . . . . 0.0 111.084 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.008 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.53 172.84 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.392 0.677 . . . . 0.0 112.254 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.65 145.15 40.84 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.808 0.443 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -20.57 64.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -85.49 -11.82 53.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.851 0.296 . . . . 0.0 110.832 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.449 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -115.14 -0.15 13.39 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.86 128.01 34.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.79 2.06 56.03 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 119.535 -0.592 . . . . 0.0 113.288 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.2 mtm105 -119.26 -29.2 5.25 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.306 1.053 . . . . 0.0 112.157 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -97.8 140.3 32.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.57 151.2 25.73 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.143 0.177 . . . . 0.0 110.536 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.61 144.77 30.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.36 178.13 4.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.845 0.858 . . . . 0.0 110.098 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.65 -150.71 36.74 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -138.78 129.66 26.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -64.96 -30.52 50.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 122.72 0.408 . . . . 0.0 111.421 -177.42 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -79.56 -5.27 54.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.648 0.379 . . . . 0.0 111.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.3 t -106.11 12.75 29.92 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.217 1.007 . . . . 0.0 109.623 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 58.67 24.38 12.08 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.682 1.193 . . . . 0.0 112.971 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -83.22 144.54 29.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.1 p -127.69 11.05 6.68 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.172 0.589 . . . . 0.0 111.351 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -44.08 129.5 6.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.686 0.795 . . . . 0.0 111.763 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.4 tp -111.05 148.23 33.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.664 0.786 . . . . 0.0 109.112 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.8 t -137.85 136.22 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.39 133.8 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -115.99 140.79 48.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.5 t0 48.64 59.64 4.23 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 123.176 0.297 . . . . 0.0 110.277 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 147.9 30.48 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -136.53 163.75 29.78 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.592 0.757 . . . . 0.0 109.219 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -60.8 -18.04 52.99 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.4 tpp85 -73.43 -20.76 60.64 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.374 0.67 . . . . 0.0 111.605 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -75.84 -15.53 60.21 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.592 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.0 tttt -64.87 131.1 45.8 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.87 -149.77 21.28 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -141.62 153.47 44.78 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.075 0.55 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -147.31 166.88 25.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.4 155.92 45.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.209 0.604 . . . . 0.0 110.533 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -90.0 154.33 19.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -134.3 137.08 43.97 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 117.894 0.315 . . . . 0.0 110.946 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -110.01 145.48 36.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.772 0.829 . . . . 0.0 110.382 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.13 120.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.202 0.601 . . . . 0.0 109.617 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -153.99 130.09 10.34 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.5 0.72 . . . . 0.0 109.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.01 -138.79 47.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.2 t -80.84 -10.11 59.75 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.733 -0.275 . . . . 0.0 110.858 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 ttp -84.83 140.96 30.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.543 0.737 . . . . 0.0 111.997 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 146.12 32.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.527 1.131 . . . . 0.0 108.003 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.436 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 71.4 t-105 -154.35 149.35 26.78 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.782 0.264 . . . . 0.0 110.98 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -118.29 131.57 56.34 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.819 0.448 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.307 80.9 m-85 -85.69 60.8 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -141.19 164.21 30.88 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 123.518 0.727 . . . . 0.0 109.649 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.4 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.512 0.196 . . . . 0.0 110.976 -177.599 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -145.5 136.69 24.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.353 0.261 . . . . 0.0 110.698 -173.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.3 t -158.33 158.66 34.76 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -77.85 169.1 18.85 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.567 0.747 . . . . 0.0 111.108 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -136.92 169.63 17.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.986 0.915 . . . . 0.0 110.488 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.3 tp -100.54 129.01 46.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.5 t -108.33 143.16 37.59 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.6 t -127.48 140.03 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.592 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.3 m-85 -128.02 148.02 50.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.19 143.51 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 122.847 0.459 . . . . 0.0 112.009 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.33 141.87 45.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.82 141.74 58.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.149 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.887 0 CA-C-O 119.415 -0.658 . . . . 0.0 113.595 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.16 148.34 41.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.953 1.376 . . . . 0.0 111.117 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.18 -15.35 39.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.39 -0.672 . . . . 0.0 112.908 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -85.24 119.86 26.08 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.614 1.207 . . . . 0.0 112.532 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.3 mt -138.88 152.07 47.48 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 117.847 0.294 . . . . 0.0 111.038 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -148.55 147.23 28.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.5 125.23 35.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.744 0.418 . . . . 0.0 110.267 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 31' ' ' CYS . 9.0 p -159.68 162.3 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.427 1.091 . . . . 0.0 110.169 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -62.46 125.88 25.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.01 -14.64 62.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.322 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 tp -152.03 135.66 16.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.159 0.584 . . . . 0.0 110.339 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.6 t -130.91 146.77 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.73 141.77 43.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 177.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -155.02 153.94 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 123.299 0.64 . . . . 0.0 111.089 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -85.83 157.94 20.09 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.017 0.437 . . . . 0.0 110.034 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -72.22 143.06 48.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.025 -0.422 . . . . 0.0 110.92 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.5 5.39 67.08 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-O 119.07 -0.85 . . . . 0.0 114.313 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.84 171.99 13.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.942 1.371 . . . . 0.0 111.189 176.35 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -94.09 166.29 12.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -170.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.52 157.85 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.919 0.888 . . . . 0.0 109.183 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.24 141.07 51.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.623 0.769 . . . . 0.0 110.112 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -133.17 89.27 33.72 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 123.927 0.891 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.13 143.47 44.37 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.081 2.521 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.4 p -161.66 166.61 26.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.8 t -153.74 165.25 36.6 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.935 0.494 . . . . 0.0 110.85 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.44 170.14 16.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 t -144.81 149.3 35.21 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.254 0.621 . . . . 0.0 110.446 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -155.15 155.9 30.56 Favored Pre-proline 0 CA--C 1.529 0.172 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -67.2 159.3 52.81 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.365 2.71 . . . . 0.0 110.284 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.3 tt0 -80.92 -0.89 41.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.33 132.74 46.89 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.79 2.37 78.7 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.123 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -148.03 165.38 30.95 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.735 1.268 . . . . 0.0 112.326 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.21 167.63 17.36 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.47 -10.35 17.11 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.9 p -110.02 -2.33 17.12 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.51 146.73 86.53 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.84 160.88 47.96 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.797 2.998 . . . . 0.0 110.286 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 144.51 20.96 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 122.746 0.418 . . . . 0.0 110.541 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.17 166.92 27.38 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.484 1.114 . . . . 0.0 110.002 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.58 157.95 27.16 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -151.73 171.71 17.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -136.79 149.46 47.79 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.352 1.061 . . . . 0.0 111.525 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -144.66 154.03 42.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.79 0.436 . . . . 0.0 110.578 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -75.27 148.75 39.15 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 O-C-N 121.769 -0.582 . . . . 0.0 109.539 177.138 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.383 0.135 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.71 160.11 49.0 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.828 3.019 . . . . 0.0 110.16 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -81.98 -17.39 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 154.25 17.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.729 0.811 . . . . 0.0 109.208 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -162.83 165.37 25.39 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.69 0.281 . . . . 0.0 111.343 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -117.38 -1.39 11.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.343 0.657 . . . . 0.0 110.898 175.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.062 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.87 173.65 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -58.72 146.73 35.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.454 0.702 . . . . 0.0 111.481 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.2 65.3 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -86.05 -9.38 56.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.986 0.357 . . . . 0.0 111.376 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -116.27 -1.43 12.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -60.93 130.87 48.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.757 0.423 . . . . 0.0 109.923 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.67 1.96 54.93 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.049 -0.862 . . . . 0.0 113.341 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -120.55 -37.02 3.08 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.995 1.397 . . . . 0.0 111.854 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -84.2 138.94 32.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -157.1 149.93 23.55 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -101.98 144.79 30.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.2 mt -118.63 179.06 4.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.99 0.916 . . . . 0.0 110.366 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.12 -149.64 34.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -138.96 128.39 24.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.33 -30.06 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.888 0.475 . . . . 0.0 111.338 -177.257 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.07 -2.35 40.06 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 122.694 0.398 . . . . 0.0 110.736 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -111.91 12.9 20.84 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.542 1.137 . . . . 0.0 109.619 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 60.11 24.47 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.608 1.163 . . . . 0.0 113.558 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.52 142.45 34.16 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -123.06 10.28 9.4 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.34 0.656 . . . . 0.0 111.231 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.5 m -44.6 129.61 6.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.958 0.903 . . . . 0.0 111.821 -172.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.1 tp -114.38 147.59 38.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.181 0.992 . . . . 0.0 108.854 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -137.4 136.57 37.97 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 110.086 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -107.28 124.7 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -102.29 140.56 36.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 45.56 58.67 4.08 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 148.29 17.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -133.99 166.07 23.56 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.128 0.971 . . . . 0.0 109.642 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -61.36 -18.92 60.98 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -74.08 -15.37 61.06 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -80.63 -13.73 58.79 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.66 0.384 . . . . 0.0 111.52 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.589 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -68.62 134.74 50.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.35 -150.15 22.29 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -140.62 152.37 45.37 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 123.119 0.568 . . . . 0.0 110.332 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -146.59 165.25 30.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.89 157.9 44.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -93.8 154.42 17.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -129.65 132.56 46.73 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 122.704 0.402 . . . . 0.0 110.338 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -103.02 144.34 31.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -148.33 118.88 7.43 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -153.79 130.82 11.02 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 123.537 0.735 . . . . 0.0 109.209 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.79 -138.14 48.8 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.6 p -85.21 -6.37 59.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.089 0.445 . . . . 0.0 110.925 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.3 ttp -86.09 135.99 33.4 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 111.58 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -142.4 143.59 32.74 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.816 1.247 . . . . 0.0 108.862 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -154.9 151.28 28.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 122.371 -0.206 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -120.78 129.2 53.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.073 0.549 . . . . 0.0 110.324 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.28 77.3 m-85 -81.57 62.45 5.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.17 162.03 36.66 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.242 0.617 . . . . 0.0 109.795 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 N--CA 1.455 -0.192 0 C-N-CA 122.681 0.392 . . . . 0.0 111.895 -177.799 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.9 t80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -146.38 139.73 25.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.75 0.25 . . . . 0.0 110.884 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.5 t -159.57 162.87 35.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.742 0.817 . . . . 0.0 110.672 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -77.37 171.51 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.032 0.533 . . . . 0.0 110.98 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.03 163.34 32.67 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.088 0.955 . . . . 0.0 110.239 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 tp -100.56 119.53 38.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 t -97.71 142.84 29.01 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.83 140.58 48.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.589 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -128.02 146.1 50.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.5 t -135.9 143.15 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.93 0.492 . . . . 0.0 110.882 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -134.42 141.06 46.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.16 140.73 58.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.915 0.388 . . . . 0.0 110.631 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.383 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.458 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.885 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.28 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.82 142.14 51.2 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.33 -15.43 9.12 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.878 0.751 . . . . 0.0 112.925 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -81.75 114.42 20.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.32 1.06 . . . . 0.0 112.755 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -137.74 153.71 49.7 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 122.643 0.377 . . . . 0.0 110.433 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 147.53 29.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -130.49 127.34 39.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.111 0.564 . . . . 0.0 109.696 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -157.56 157.72 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.751 0.82 . . . . 0.0 110.258 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.5 118.11 8.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -68.17 -18.87 64.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -153.72 125.19 7.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.281 0.492 . . . . 0.0 110.307 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.8 147.85 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.492 1.117 . . . . 0.0 108.246 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.54 140.4 41.04 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.86 154.3 7.91 Favored 'Isoleucine or valine' 0 C--N 1.337 0.032 0 C-N-CA 122.679 0.391 . . . . 0.0 111.047 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -86.61 156.97 19.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.87 142.17 53.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.22 -0.3 . . . . 0.0 110.589 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.81 3.65 65.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.846 -0.974 . . . . 0.0 114.647 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.66 171.91 13.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 119.298 1.549 . . . . 0.0 111.396 176.699 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 m -93.37 166.36 12.33 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.64 157.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.467 1.107 . . . . 0.0 109.216 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -121.07 142.15 50.1 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.764 0.826 . . . . 0.0 110.333 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.6 t -135.15 88.54 25.92 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.285 1.034 . . . . 0.0 110.959 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.32 143.08 47.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.348 2.699 . . . . 0.0 111.129 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.478 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.0 p -162.55 166.53 24.63 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 111.35 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.0 p -153.72 169.46 23.27 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.15 0.58 . . . . 0.0 110.922 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -141.23 170.27 16.05 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.1 m -143.13 147.32 34.78 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.137 0.975 . . . . 0.0 110.343 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -153.62 154.85 30.93 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -67.21 154.34 74.52 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.048 2.499 . . . . 0.0 109.857 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 56.1 tt0 -80.35 -1.54 41.57 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.776 0.43 . . . . 0.0 111.842 -177.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.91 141.39 51.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.21 1.34 90.35 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.209 -0.773 . . . . 0.0 114.273 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.427 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 66.8 p-90 -151.44 165.83 32.94 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.76 1.28 . . . . 0.0 111.914 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.9 161.78 27.48 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -60.51 -27.83 67.91 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -86.86 -6.47 58.79 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.97 149.36 94.87 Favored Pre-proline 0 C--O 1.231 0.13 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.73 158.7 56.1 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.55 2.833 . . . . 0.0 109.892 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.99 147.47 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 122.593 0.357 . . . . 0.0 110.158 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -149.22 164.06 35.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.808 1.243 . . . . 0.0 110.161 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.8 155.49 26.19 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -148.92 170.8 17.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -135.91 147.03 47.97 Favored 'General case' 0 CA--C 1.522 -0.115 0 C-N-CA 124.365 1.066 . . . . 0.0 111.627 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -143.96 152.48 41.14 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.34 137.6 39.94 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.972 0.415 . . . . 0.0 110.639 -177.023 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.76 155.45 53.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.865 2.377 . . . . 0.0 110.063 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -83.32 -16.79 11.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 O-C-N 122.148 -0.345 . . . . 0.0 111.834 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.63 153.63 13.01 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.396 1.078 . . . . 0.0 108.809 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -162.36 154.96 19.53 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -90.39 -13.32 35.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.707 0.803 . . . . 0.0 110.929 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.059 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.62 173.58 14.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.11 0.564 . . . . 0.0 111.508 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -58.52 144.6 42.0 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.448 0.299 . . . . 0.0 111.33 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.8 65.83 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -84.35 -9.82 58.11 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.988 0.358 . . . . 0.0 111.043 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.457 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.28 -0.52 12.01 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -59.85 127.13 30.44 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.53 -1.48 43.91 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.643 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -113.39 -33.3 5.97 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.969 1.384 . . . . 0.0 112.063 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -87.44 141.45 28.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 174.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.32 147.44 22.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.3 mt -101.51 144.41 30.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 mt -115.98 171.27 7.89 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.676 0.79 . . . . 0.0 110.43 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.2 -155.44 50.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.258 7.5 p30 -137.26 144.85 42.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 178.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -23.82 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.833 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -81.58 5.32 18.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.302 0.641 . . . . 0.0 111.736 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t -126.77 15.09 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.941 0.897 . . . . 0.0 109.753 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 58.96 24.75 12.95 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.375 1.07 . . . . 0.0 113.227 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -82.46 144.85 30.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.7 p -128.03 9.94 6.35 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.339 0.656 . . . . 0.0 111.464 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 m -45.08 131.4 7.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.956 0.903 . . . . 0.0 111.482 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.6 tp -115.95 148.07 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 108.924 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.8 t -138.64 135.42 34.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 124.68 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -103.37 140.68 37.12 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.9 t0 48.68 62.4 2.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 147.68 37.64 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -139.18 165.54 26.89 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.738 0.815 . . . . 0.0 109.721 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.7 -13.8 26.11 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -76.39 -16.25 59.76 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.036 0.534 . . . . 0.0 111.529 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -83.69 -15.49 48.56 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 122.983 0.513 . . . . 0.0 111.83 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.572 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -65.31 133.61 51.79 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.99 -150.47 22.53 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.2 m -142.46 153.24 43.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.078 0.551 . . . . 0.0 109.974 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -148.37 166.65 27.44 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -144.48 158.71 43.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -94.25 154.57 17.47 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -131.81 137.24 48.05 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 122.436 0.294 . . . . 0.0 110.208 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.8 145.49 38.06 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 124.398 1.079 . . . . 0.0 110.288 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -150.94 119.43 6.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -153.48 131.71 11.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 109.082 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.96 -141.06 47.37 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -81.88 -5.9 58.64 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.102 0.451 . . . . 0.0 110.816 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -90.76 141.9 28.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.223 0.609 . . . . 0.0 112.163 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 145.33 31.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 174.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.458 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.8 t-105 -154.08 147.53 25.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.506 0.139 . . . . 0.0 111.137 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.4 m -116.11 131.13 57.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.667 0.387 . . . . 0.0 110.026 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.308 81.1 m-85 -82.04 57.93 3.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -134.99 158.11 45.18 Favored 'General case' 0 C--O 1.227 -0.094 0 C-N-CA 123.925 0.89 . . . . 0.0 108.909 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.234 0.248 0 O-C-N 122.182 -0.324 . . . . 0.0 110.82 -179.329 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.257 22.4 t80 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -145.9 136.89 24.57 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.138 0.575 . . . . 0.0 110.857 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.5 t -156.28 160.85 40.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.888 0.475 . . . . 0.0 111.793 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -76.9 169.78 17.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.081 0.467 . . . . 0.0 110.873 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -139.17 166.13 25.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.685 0.794 . . . . 0.0 110.673 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.48 123.67 45.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.2 t -102.45 142.92 32.87 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 172.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.12 141.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.149 0.58 . . . . 0.0 109.92 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.9 m-85 -130.27 147.05 51.95 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.8 t -135.43 143.45 36.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 122.795 0.438 . . . . 0.0 111.526 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -134.61 142.13 46.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.76 141.37 58.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.985 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.959 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.431 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.526 0.72 0 CA-C-O 119.412 -0.66 . . . . 0.0 113.585 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -60.17 149.11 33.86 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.71 -14.92 8.61 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.433 -0.648 . . . . 0.0 113.106 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.41 119.5 25.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.084 0.942 . . . . 0.0 112.653 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.7 mt -138.73 158.13 44.82 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.723 0.409 . . . . 0.0 110.527 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -143.93 143.51 31.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.105 0.562 . . . . 0.0 109.938 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.66 113.46 14.8 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.3 p -154.68 155.81 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.392 0.677 . . . . 0.0 110.702 -176.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -67.82 119.27 12.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.511 0.724 . . . . 0.0 109.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.77 -19.13 64.31 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.61 124.35 7.86 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 118.35 0.523 . . . . 0.0 110.249 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -121.11 148.06 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.739 1.216 . . . . 0.0 108.242 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.81 141.97 42.9 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.89 154.63 7.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 122.906 0.482 . . . . 0.0 110.954 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.01 156.17 19.45 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -68.38 140.93 55.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.21 -0.306 . . . . 0.0 110.686 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.19 65.83 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.728 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.77 173.84 11.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 119.268 1.534 . . . . 0.0 111.696 176.326 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -91.75 167.41 12.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.72 155.32 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 124.539 1.136 . . . . 0.0 109.251 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -120.0 140.21 51.3 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.569 0.748 . . . . 0.0 110.157 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 t -134.35 89.12 28.28 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 123.732 0.813 . . . . 0.0 111.283 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -70.1 142.81 47.4 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.291 2.66 . . . . 0.0 111.237 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB3' HG23 ' A' ' 15' ' ' VAL . 17.0 p -161.48 167.66 25.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 122.196 0.198 . . . . 0.0 111.275 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -153.0 172.22 17.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.195 0.598 . . . . 0.0 110.692 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -141.41 170.71 15.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 t -147.72 149.63 32.79 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.042 0.537 . . . . 0.0 110.118 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -152.89 156.12 32.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -172.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.85 157.69 60.63 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.199 2.599 . . . . 0.0 110.339 173.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.7 tt0 -80.22 -1.93 42.72 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.142 0.577 . . . . 0.0 112.283 -177.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.76 139.82 55.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 4.98 90.06 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.75 -1.028 . . . . 0.0 114.326 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.3 p-90 -151.19 166.24 31.47 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 119.331 1.566 . . . . 0.0 112.88 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.94 166.36 22.53 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.04 -10.85 11.1 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -100.06 -5.3 28.21 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.952 0.501 . . . . 0.0 111.785 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 94.9 m-20 -75.6 157.71 83.96 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 24.0 Cg_exo -67.98 173.14 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.024 3.149 . . . . 0.0 112.072 172.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.08 140.1 27.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 124.0 0.92 . . . . 0.0 112.328 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -149.29 162.73 39.46 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.531 0.732 . . . . 0.0 111.026 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.81 156.23 26.57 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -152.24 172.49 16.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -138.46 147.78 43.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.729 1.212 . . . . 0.0 111.46 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -144.98 153.04 41.09 Favored 'General case' 0 CA--C 1.522 -0.12 0 C-N-CA 122.938 0.495 . . . . 0.0 110.584 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.63 146.51 42.37 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.85 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -72.32 154.45 56.25 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.911 2.407 . . . . 0.0 110.23 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -81.73 -16.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 122.319 -0.238 . . . . 0.0 111.539 175.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.88 151.41 14.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.011 0.924 . . . . 0.0 109.219 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -161.72 161.57 29.4 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -110.48 -1.31 17.06 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.558 0.743 . . . . 0.0 110.673 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.445 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.031 0.443 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.52 170.14 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.084 0 C-N-CA 123.642 0.777 . . . . 0.0 111.947 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.55 148.0 30.18 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.988 0.515 . . . . 0.0 111.406 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.89 64.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -84.28 -12.29 54.94 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.995 0.361 . . . . 0.0 111.377 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.467 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.66 -1.59 13.98 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.62 128.77 38.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.71 1.6 58.88 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.791 -1.005 . . . . 0.0 113.412 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -119.11 -35.59 3.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.867 1.333 . . . . 0.0 111.87 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.467 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -85.2 139.02 31.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -157.36 149.02 22.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.294 -0.254 . . . . 0.0 110.778 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.0 mt -100.37 141.14 33.63 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.0 mt -115.89 -11.01 11.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.818 0.447 . . . . 0.0 111.828 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.76 143.85 23.68 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.08 124.22 28.55 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.28 44.19 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 122.576 0.35 . . . . 0.0 111.424 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -84.01 4.69 28.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.911 0.484 . . . . 0.0 111.072 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -121.95 13.09 10.55 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.064 0.945 . . . . 0.0 110.422 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.03 21.66 8.06 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.371 1.068 . . . . 0.0 113.328 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.03 147.31 24.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -128.8 12.23 6.24 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.626 0.77 . . . . 0.0 112.282 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.6 m -44.54 126.95 5.75 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.66 0.784 . . . . 0.0 111.795 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.2 tp -110.04 149.74 29.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.526 1.13 . . . . 0.0 109.479 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.7 t -139.23 137.02 35.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.164 -0.335 . . . . 0.0 110.346 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.83 124.88 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -102.46 141.55 35.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 45.62 58.53 4.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.88 148.98 15.78 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -135.24 165.29 25.77 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 123.851 0.861 . . . . 0.0 109.879 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.97 -15.12 27.94 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -78.52 -15.49 58.53 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.287 0.635 . . . . 0.0 111.467 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -81.17 -13.04 59.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.554 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.5 tttt -66.43 133.33 50.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.53 -151.82 23.7 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -138.77 152.49 47.96 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 123.015 0.526 . . . . 0.0 109.991 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -146.61 165.08 30.61 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -139.58 155.2 47.62 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.101 0.561 . . . . 0.0 111.646 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -87.95 154.59 20.39 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -131.69 130.18 41.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.831 0.287 . . . . 0.0 110.418 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.2 146.49 25.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.676 0.79 . . . . 0.0 110.526 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -144.55 117.04 8.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 172.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -148.79 116.81 6.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.63 -138.89 47.66 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.6 m -79.36 -6.19 56.23 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.815 0.307 . . . . 0.0 111.404 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -95.11 145.16 25.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.362 0.665 . . . . 0.0 112.134 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 148.59 36.61 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.431 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.6 t-105 -150.89 151.57 32.39 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.425 0.155 . . . . 0.0 110.711 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.97 131.18 53.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.995 0.518 . . . . 0.0 110.261 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.305 79.4 m-85 -84.12 62.57 7.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -174.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -140.4 159.97 41.01 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.233 0.214 0 C-N-CA 122.475 0.31 . . . . 0.0 111.534 -176.25 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 33.9 t80 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -145.61 136.93 24.96 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.888 0.475 . . . . 0.0 110.72 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.6 t -158.36 157.05 31.62 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.118 0.567 . . . . 0.0 111.524 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.86 170.95 15.61 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.812 0.445 . . . . 0.0 111.013 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -136.25 169.37 17.75 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.001 0.92 . . . . 0.0 110.88 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.0 tp -100.53 127.79 46.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 t -106.44 143.32 34.72 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 172.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.39 140.4 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.094 0.558 . . . . 0.0 109.737 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.554 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.1 m-85 -129.35 146.59 51.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 14.7 t -135.55 143.25 37.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.989 0.515 . . . . 0.0 111.991 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -135.99 143.59 44.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.62 141.69 58.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.729 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.532 1.143 0 CA-C-O 119.171 -0.794 . . . . 0.0 113.363 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -66.99 152.33 45.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.929 1.365 . . . . 0.0 108.498 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.0 -15.71 9.99 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.62 0.629 . . . . 0.0 113.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.76 118.93 24.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.176 0.988 . . . . 0.0 113.273 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -139.14 151.37 46.59 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.642 0.377 . . . . 0.0 110.193 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.6 148.51 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -130.5 127.5 39.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.8 p -156.85 156.27 4.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.53 0.732 . . . . 0.0 110.445 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -65.45 117.75 8.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.41 -16.63 62.97 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 tp -152.36 122.76 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.267 0.485 . . . . 0.0 110.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.89 149.12 22.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.61 141.43 41.26 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.92 153.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.82 0.448 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -85.92 156.18 20.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.103 0.478 . . . . 0.0 109.785 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.33 139.82 54.27 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.089 -0.382 . . . . 0.0 110.877 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.88 3.92 63.73 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.874 -0.959 . . . . 0.0 114.806 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.46 176.94 9.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.264 1.532 . . . . 0.0 111.948 177.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -91.74 164.73 13.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -170.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.18 155.15 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 173.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -119.99 140.76 50.45 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.402 0.681 . . . . 0.0 110.322 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -133.66 88.47 33.56 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.944 0.898 . . . . 0.0 111.335 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.08 142.93 43.27 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.361 2.707 . . . . 0.0 111.01 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.6 p -161.43 167.16 26.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.434 177.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.8 t -153.74 166.22 33.54 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.81 0.444 . . . . 0.0 110.698 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -140.66 169.98 16.62 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.4 t -145.6 147.69 32.32 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.046 0.938 . . . . 0.0 110.122 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -154.54 155.52 30.72 Favored Pre-proline 0 N--CA 1.454 -0.251 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -174.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.45 157.59 61.19 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.232 2.621 . . . . 0.0 110.346 174.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.9 tt0 -79.68 0.39 30.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.943 0.497 . . . . 0.0 111.663 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.69 129.12 39.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.26 5.48 69.98 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 119.253 -0.749 . . . . 0.0 113.912 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -153.82 166.92 31.39 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.773 1.286 . . . . 0.0 112.076 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.0 164.7 23.71 Favored 'General case' 0 CA--C 1.526 0.043 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -62.6 -10.84 13.56 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 t -98.57 -9.18 25.24 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.034 0.533 . . . . 0.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.51 148.07 85.35 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.1 166.89 28.31 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.688 2.925 . . . . 0.0 110.217 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.58 146.38 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.705 0.402 . . . . 0.0 110.703 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -149.18 164.76 33.82 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.194 1.397 . . . . 0.0 110.433 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.19 158.26 26.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -151.68 171.41 17.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 -175.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -136.98 148.59 46.99 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.016 1.327 . . . . 0.0 111.272 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -144.94 151.23 38.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.869 0.468 . . . . 0.0 110.464 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -72.77 145.86 46.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.771 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -71.9 155.03 58.29 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.129 2.553 . . . . 0.0 110.744 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.23 -15.41 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.63 152.19 17.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.693 0.797 . . . . 0.0 109.701 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -161.45 166.25 27.53 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.596 0.358 . . . . 0.0 111.482 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -119.74 -1.37 10.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.731 0.812 . . . . 0.0 111.371 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.31 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -131.38 168.81 23.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -58.71 145.77 38.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.295 0.638 . . . . 0.0 110.803 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.25 -19.72 65.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -87.45 -4.36 59.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.956 0.344 . . . . 0.0 111.574 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -124.31 -6.66 7.64 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 176.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -60.26 132.08 52.79 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.83 0.348 . . . . 0.0 110.194 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.76 3.87 74.61 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.907 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -127.46 -35.15 2.19 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 118.422 1.111 . . . . 0.0 112.333 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -89.92 140.44 29.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 175.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -155.64 146.52 22.29 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 117.696 0.226 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.82 144.93 28.31 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.14 178.27 4.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.58 0.752 . . . . 0.0 109.864 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -151.14 36.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -141.07 130.04 23.2 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.405 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.2 -29.61 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.136 0.575 . . . . 0.0 111.282 -177.49 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -80.38 -4.65 54.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.291 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -107.13 10.63 30.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.02 0.928 . . . . 0.0 109.516 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 59.32 24.99 13.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.589 1.156 . . . . 0.0 113.147 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -83.08 143.02 30.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.1 p -122.64 10.93 9.76 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.281 0.633 . . . . 0.0 111.515 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -45.63 131.36 8.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.876 0.87 . . . . 0.0 112.292 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -116.56 149.17 40.07 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.974 0.91 . . . . 0.0 108.831 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 t -139.75 138.72 36.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.919 0.39 . . . . 0.0 110.103 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.9 137.57 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -124.75 140.9 52.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.506 0.722 . . . . 0.0 109.31 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.06 57.15 6.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.36 147.77 30.04 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -132.34 167.06 20.55 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.91 -17.08 55.46 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp85 -79.94 -14.09 58.87 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.023 0.374 . . . . 0.0 111.915 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.06 -15.45 58.89 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.56 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.6 tttt -64.65 130.87 45.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.773 0.429 . . . . 0.0 109.898 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.27 -151.63 23.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.7 m -138.56 154.68 48.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.203 0.601 . . . . 0.0 110.526 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -147.1 165.78 28.9 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.77 0.428 . . . . 0.0 110.075 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -140.77 157.47 45.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.392 0.677 . . . . 0.0 110.957 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -93.45 154.41 17.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -131.89 133.48 44.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.548 0.339 . . . . 0.0 110.382 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 tp -105.41 145.45 30.8 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.079 0.952 . . . . 0.0 110.306 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -149.49 119.86 7.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.046 0.539 . . . . 0.0 109.693 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -152.03 131.34 12.85 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.915 0.886 . . . . 0.0 108.616 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -140.56 47.11 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.0 m -79.94 -8.34 59.28 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.861 0.33 . . . . 0.0 111.379 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -91.69 144.33 25.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -144.37 149.84 36.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.562 1.145 . . . . 0.0 108.129 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.413 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 71.6 t-105 -152.56 152.54 31.98 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.458 0.17 . . . . 0.0 110.814 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.85 130.65 53.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.171 0.588 . . . . 0.0 109.863 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 79.1 m-85 -85.22 61.63 6.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 -175.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -143.84 165.4 27.8 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.548 0.739 . . . . 0.0 109.604 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.011 0.434 . . . . 0.0 111.136 -178.856 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 12.6 t80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.25 143.75 29.41 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.327 0.251 . . . . 0.0 110.818 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.9 t -158.88 163.01 36.99 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.456 0.702 . . . . 0.0 111.353 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.56 171.15 15.35 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.974 0.51 . . . . 0.0 110.882 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -139.16 166.16 25.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.224 1.01 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.38 125.59 46.66 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -104.41 143.24 33.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.0 t -128.61 141.38 46.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 122.857 0.463 . . . . 0.0 109.757 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.56 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -130.38 146.69 51.99 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.83 143.42 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.881 0.472 . . . . 0.0 111.641 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -136.32 142.81 43.9 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.89 141.39 58.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.446 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.972 0 CA-C-O 119.296 -0.725 . . . . 0.0 113.396 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.45 149.6 29.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.83 -16.22 7.1 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.861 0.743 . . . . 0.0 112.905 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -82.89 118.16 23.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.182 0.991 . . . . 0.0 113.243 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 mt -139.34 150.75 45.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.808 0.443 . . . . 0.0 110.134 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.68 146.53 28.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.752 0.421 . . . . 0.0 109.999 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.58 124.7 36.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 31' ' ' CYS . 10.6 p -155.62 156.92 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 110.746 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.76 118.21 9.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -67.3 -21.38 65.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.82 122.11 7.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.777 0.322 . . . . 0.0 110.213 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -117.2 148.71 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.418 1.087 . . . . 0.0 108.297 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.63 140.77 41.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.98 152.44 10.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 C-N-CA 122.725 0.41 . . . . 0.0 110.892 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.401 ' HB2' HD11 ' A' ' 25' ' ' LEU . 34.1 mt-30 -85.52 157.12 20.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -69.84 141.3 53.28 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.966 -0.459 . . . . 0.0 110.888 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 6.12 68.33 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 119.169 -0.795 . . . . 0.0 114.641 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.08 176.64 9.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.045 1.423 . . . . 0.0 111.497 176.106 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -91.85 167.32 12.23 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.44 154.55 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.439 1.096 . . . . 0.0 108.853 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -120.97 140.39 51.95 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 123.334 0.654 . . . . 0.0 109.781 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.67 88.88 32.3 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.95 142.59 43.05 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.045 2.496 . . . . 0.0 111.143 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.2 p -161.47 166.81 26.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.184 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.3 p -154.02 170.54 20.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.907 0.483 . . . . 0.0 110.861 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -141.41 172.15 13.08 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.85 145.98 28.91 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.932 0.893 . . . . 0.0 110.076 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -151.75 156.23 34.3 Favored Pre-proline 0 N--CA 1.454 -0.273 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -172.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -67.18 156.87 64.39 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.305 2.67 . . . . 0.0 109.828 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.5 tt0 -81.51 0.25 38.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.907 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -67.85 138.64 56.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.84 4.24 90.41 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.213 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -150.96 166.27 31.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.216 1.508 . . . . 0.0 112.723 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.18 164.57 23.12 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -61.69 -11.31 11.29 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -102.57 -4.44 25.25 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.09 0.556 . . . . 0.0 112.109 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 93.9 m-20 -77.14 141.36 66.98 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 44.7 Cg_exo -59.67 163.18 13.73 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.74 2.96 . . . . 0.0 111.866 173.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.47 146.85 17.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-O 120.934 0.397 . . . . 0.0 110.581 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -148.91 167.5 25.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.74 1.216 . . . . 0.0 110.296 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.01 158.24 27.35 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -150.37 168.73 23.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -175.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -133.52 148.66 51.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.67 1.188 . . . . 0.0 111.302 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -144.32 148.02 34.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -74.16 138.17 43.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.379 -177.34 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.45 152.01 54.14 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.965 2.443 . . . . 0.0 110.171 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -80.03 -16.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.54 149.95 11.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.263 1.025 . . . . 0.0 109.432 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 t -161.12 164.23 30.8 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -113.72 -1.26 14.02 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 111.043 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.773 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 pm0 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.995 0.426 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 m -126.54 172.88 13.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 123.788 0.835 . . . . 0.0 110.458 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -58.88 148.3 30.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.956 0.502 . . . . 0.0 111.429 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.41 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -83.99 -7.65 59.35 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.271 -0.268 . . . . 0.0 111.236 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -119.34 -1.25 10.81 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 177.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 131.52 50.94 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.15 59.94 Favored Glycine 0 CA--C 1.531 1.031 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.425 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -122.66 -35.89 2.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.481 1.14 . . . . 0.0 111.807 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -87.19 139.81 30.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -156.96 148.23 22.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -100.07 144.76 28.72 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 mt -119.78 178.17 4.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.664 0.785 . . . . 0.0 110.055 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.48 -152.09 37.13 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -139.6 130.41 26.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.437 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -66.1 -28.71 44.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 122.935 0.494 . . . . 0.0 111.503 -177.194 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -79.89 -6.62 57.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.84 0.456 . . . . 0.0 111.065 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -105.63 11.96 31.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.964 0.906 . . . . 0.0 109.599 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 59.42 26.07 14.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.467 1.107 . . . . 0.0 113.15 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -82.54 147.56 28.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.25 11.2 6.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.519 0.728 . . . . 0.0 111.385 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.9 m -46.08 133.31 9.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.567 0.747 . . . . 0.0 112.02 -171.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -118.59 148.17 42.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.831 0.852 . . . . 0.0 109.201 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.5 t -138.65 136.68 36.15 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.303 -0.248 . . . . 0.0 110.43 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.62 124.81 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -102.25 140.88 35.94 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 46.53 56.77 6.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.82 13.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.53 158.96 38.53 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.714 0.806 . . . . 0.0 109.262 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -63.42 -10.71 18.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -78.72 -21.19 48.47 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.227 0.611 . . . . 0.0 111.119 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -73.36 -12.86 60.97 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.918 0.487 . . . . 0.0 111.938 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -63.92 129.73 41.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.83 -154.99 25.99 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 m -136.99 152.94 50.73 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.886 0.474 . . . . 0.0 109.8 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -147.52 165.23 30.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.0 156.5 46.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.315 0.646 . . . . 0.0 110.272 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -92.98 154.49 18.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -132.88 130.89 40.29 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 122.66 0.384 . . . . 0.0 110.423 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.1 tp -103.08 146.47 28.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.0 0.92 . . . . 0.0 110.377 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -150.15 119.91 7.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.4 ttm-85 -150.88 131.42 13.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.979 0.912 . . . . 0.0 108.585 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.34 -139.38 47.97 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -80.01 -12.64 59.69 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.481 -0.423 . . . . 0.0 111.139 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -86.96 144.2 27.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.511 0.724 . . . . 0.0 112.886 -175.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -144.85 150.12 36.56 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.796 1.238 . . . . 0.0 108.245 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.446 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 70.6 t-105 -152.25 154.0 34.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.478 0.18 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.4 t -123.57 129.71 51.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.045 0.538 . . . . 0.0 110.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.303 80.1 m-85 -84.43 63.07 7.61 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -174.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -142.9 160.17 40.84 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.264 0.626 . . . . 0.0 109.788 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.231 0.132 0 C-N-CA 122.669 0.387 . . . . 0.0 111.168 -177.304 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -144.86 135.28 24.31 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.615 0.245 . . . . 0.0 111.627 -173.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.9 t -159.79 158.44 31.14 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.383 0.673 . . . . 0.0 111.361 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -83.9 171.56 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.856 0.462 . . . . 0.0 110.985 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.33 170.61 15.75 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 124.154 0.981 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.5 131.4 46.43 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 t -111.25 142.58 43.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.98 139.06 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.8 m-85 -127.87 145.87 50.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.4 t -135.63 143.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -132.86 143.86 49.8 Favored 'General case' 0 CA--C 1.527 0.062 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.36 139.37 58.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.399 0.28 . . . . 0.0 110.83 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.46 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.901 0 CA-C-O 119.586 -0.563 . . . . 0.0 112.756 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.82 142.49 45.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.273 1.037 . . . . 0.0 113.786 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.62 -15.35 36.54 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.712 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -84.93 118.46 24.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.667 1.234 . . . . 0.0 112.623 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -137.21 151.04 48.31 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 122.43 0.292 . . . . 0.0 110.582 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.42 147.91 29.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -128.33 126.37 40.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.002 0.521 . . . . 0.0 109.604 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.0 p -156.63 156.34 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 C-N-CA 123.49 0.716 . . . . 0.0 110.822 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.26 118.8 9.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -67.44 -20.84 65.55 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -174.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.1 tp -153.21 124.19 7.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.168 0.44 . . . . 0.0 110.34 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.05 147.45 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 139.63 39.65 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.4 155.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.036 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -84.55 157.76 21.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.82 142.81 48.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.44 7.49 65.13 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 119.056 -0.858 . . . . 0.0 114.971 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -146.66 176.92 9.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.008 1.404 . . . . 0.0 111.304 176.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -91.4 165.92 13.15 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -169.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.36 144.85 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 124.372 1.069 . . . . 0.0 109.281 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -108.13 142.46 38.29 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.457 0.703 . . . . 0.0 110.021 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -136.33 86.32 24.71 Favored Pre-proline 0 N--CA 1.455 -0.207 0 C-N-CA 123.864 0.866 . . . . 0.0 111.415 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.85 141.83 45.94 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.985 2.456 . . . . 0.0 111.033 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.8 p -161.39 166.87 26.71 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.339 0.256 . . . . 0.0 111.178 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.3 p -153.22 168.64 25.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.802 0.441 . . . . 0.0 111.289 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -138.4 168.97 18.63 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.9 t -147.9 147.29 29.57 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.527 0.731 . . . . 0.0 109.97 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -152.57 156.01 33.04 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.42 157.18 62.96 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.109 2.539 . . . . 0.0 110.27 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.5 tt0 -79.02 -1.11 34.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.321 0.648 . . . . 0.0 112.352 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.74 129.5 40.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.14 7.35 73.63 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.152 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.471 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -153.83 167.91 28.08 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.933 1.367 . . . . 0.0 112.472 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.33 168.85 18.14 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.12 -10.92 16.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -97.34 -14.12 21.48 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.026 0.53 . . . . 0.0 111.354 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.01 145.78 86.68 Favored Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.14 164.6 35.14 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.913 3.076 . . . . 0.0 110.534 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -142.47 144.67 24.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.35 168.16 24.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.387 1.075 . . . . 0.0 110.924 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.46 158.04 27.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -150.96 171.01 17.95 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -136.91 149.25 47.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.824 1.25 . . . . 0.0 111.474 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -146.1 153.4 40.65 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -76.0 146.4 39.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.757 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.86 154.22 58.57 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.476 2.784 . . . . 0.0 110.145 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -83.42 -16.64 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.84 153.68 19.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.057 0.943 . . . . 0.0 109.502 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.77 164.28 29.01 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.579 0.352 . . . . 0.0 111.382 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -115.86 -2.91 12.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.589 0.755 . . . . 0.0 110.903 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.255 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.7 172.06 15.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.44 148.87 26.63 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.42 0.688 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.85 -22.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -83.07 -12.72 56.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.001 0.364 . . . . 0.0 111.433 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -114.88 -1.8 13.07 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 129.78 42.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.24 2.63 63.2 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.176 -0.791 . . . . 0.0 113.121 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -122.12 -32.58 3.66 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.294 1.047 . . . . 0.0 112.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.7 m-85 -97.19 136.85 37.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 175.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.53 154.37 30.2 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 120.511 0.196 . . . . 0.0 110.807 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.0 mt -106.03 145.18 31.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.465 0.306 . . . . 0.0 110.531 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.5 mt -121.82 174.39 6.89 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.385 1.074 . . . . 0.0 110.356 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 171.53 42.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -86.56 123.39 31.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.4 pt -69.08 -21.16 25.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 122.556 0.342 . . . . 0.0 111.236 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -84.41 -12.61 54.09 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.059 0.391 . . . . 0.0 110.871 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.3 t -94.48 11.74 29.75 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.656 0.782 . . . . 0.0 109.891 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 59.47 28.42 17.8 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.135 0.974 . . . . 0.0 112.691 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -78.88 143.08 36.25 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 174.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.6 p -129.19 9.65 5.71 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 111.38 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.1 m -45.02 115.61 0.93 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.272 1.029 . . . . 0.0 111.705 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.5 tp -90.65 144.04 26.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.7 t -134.09 134.83 42.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 68.3 mt -115.1 140.05 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 -122.94 142.42 50.84 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.746 0.819 . . . . 0.0 109.919 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 47.05 55.41 8.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 149.92 13.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -133.83 164.77 26.5 Favored 'General case' 0 CA--C 1.523 -0.06 0 C-N-CA 123.703 0.801 . . . . 0.0 109.683 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.57 -19.64 50.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -75.9 -14.78 60.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.672 0.389 . . . . 0.0 112.019 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.19 -13.56 59.62 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.574 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.2 tttt -66.11 134.48 52.89 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.072 0.549 . . . . 0.0 109.636 177.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.66 -149.82 21.82 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.9 m -138.32 153.17 49.01 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.166 0.587 . . . . 0.0 110.273 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -144.93 165.1 29.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.07 0.462 . . . . 0.0 109.947 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -140.38 156.96 46.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.251 28.6 t80 -94.69 154.62 17.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -131.28 133.76 45.73 Favored 'General case' 0 N--CA 1.458 -0.041 0 C-N-CA 122.657 0.383 . . . . 0.0 110.252 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.5 tp -103.67 147.34 27.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.679 0.791 . . . . 0.0 110.574 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.8 117.34 7.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -148.97 122.1 8.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.77 -138.33 47.2 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -81.62 -3.97 54.85 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 122.636 -0.332 . . . . 0.0 111.477 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -96.99 143.94 27.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.131 0.573 . . . . 0.0 112.258 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.55 146.2 34.39 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.512 1.125 . . . . 0.0 108.045 175.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 69.8 t-105 -150.64 156.07 40.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.518 0.145 . . . . 0.0 111.057 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -125.13 131.67 53.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.078 0.551 . . . . 0.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.293 77.5 m-85 -86.81 60.89 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -173.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -141.26 155.72 45.97 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.455 -0.187 0 C-N-CA 122.456 0.303 . . . . 0.0 111.729 -176.205 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -145.7 131.32 18.86 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-O 121.153 0.501 . . . . 0.0 111.076 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.1 t -158.12 146.51 18.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.127 0.971 . . . . 0.0 109.874 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.401 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 61.7 pttt -71.24 168.61 16.92 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.257 0.623 . . . . 0.0 111.045 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -133.01 170.24 15.67 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.216 1.006 . . . . 0.0 111.218 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.0 tp -100.61 126.36 47.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.5 t -105.22 142.91 34.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 68.1 t -128.06 141.37 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.574 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.1 m-85 -130.07 147.01 51.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.07 143.67 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 122.935 0.494 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -131.74 143.22 50.08 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.77 141.3 58.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.714 0.292 . . . . 0.0 110.554 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 122.43 0.292 . . . . 0.0 110.54 -177.222 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.903 0 CA-C-O 119.578 -0.568 . . . . 0.0 113.409 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -59.99 148.67 34.53 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 174.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.25 -15.16 9.35 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.789 0.709 . . . . 0.0 112.83 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.84 113.72 19.97 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -136.27 150.82 49.1 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.514 0.326 . . . . 0.0 110.549 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -148.46 147.45 29.15 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -128.5 126.61 40.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.3 p -157.72 156.07 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.485 0.714 . . . . 0.0 110.731 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -65.72 116.4 6.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -69.9 -16.01 63.16 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.44 123.32 7.46 Favored 'General case' 0 C--N 1.337 0.053 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.71 147.65 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.58 141.24 45.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 177.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -153.52 155.13 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 122.48 0.312 . . . . 0.0 111.195 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -87.15 155.96 19.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.911 -0.493 . . . . 0.0 109.856 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -67.85 143.06 55.92 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.993 -0.442 . . . . 0.0 110.988 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.62 6.05 68.34 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.706 -1.052 . . . . 0.0 115.071 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -146.13 173.15 12.45 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.533 1.666 . . . . 0.0 111.863 176.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -91.84 166.61 12.65 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -171.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.73 157.03 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.514 1.126 . . . . 0.0 109.076 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -120.1 140.51 50.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.697 0.799 . . . . 0.0 110.341 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.99 90.17 27.33 Favored Pre-proline 0 CA--C 1.53 0.173 0 C-N-CA 124.006 0.922 . . . . 0.0 111.175 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.67 143.42 46.42 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.207 2.605 . . . . 0.0 111.553 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.482 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.3 p -161.88 166.85 25.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.532 0.206 . . . . 0.0 111.307 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -152.78 168.85 24.35 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.856 0.462 . . . . 0.0 111.19 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -139.44 170.5 15.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -148.04 148.52 30.77 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 109.943 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -152.49 155.8 33.02 Favored Pre-proline 0 CA--C 1.53 0.197 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -173.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 156.78 64.77 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.993 2.462 . . . . 0.0 109.931 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.452 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.8 tt0 -81.22 -1.13 43.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.941 0.496 . . . . 0.0 112.017 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -67.12 137.79 56.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.81 4.18 90.39 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.379 -0.679 . . . . 0.0 114.382 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.86 166.2 32.17 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 118.837 1.318 . . . . 0.0 112.086 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.64 163.64 24.63 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -64.07 -20.28 65.82 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -82.99 -15.79 49.79 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.806 0.442 . . . . 0.0 111.613 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -72.43 146.83 89.47 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -71.36 159.73 50.81 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.672 2.915 . . . . 0.0 109.983 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -140.53 146.42 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.767 0.427 . . . . 0.0 110.406 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -149.12 168.46 23.15 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.83 1.252 . . . . 0.0 110.194 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.81 158.43 27.66 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -149.97 174.94 12.15 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -136.33 149.05 48.21 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 124.224 1.009 . . . . 0.0 111.36 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.3 150.54 40.97 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.21 135.32 37.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.692 -176.259 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.83 153.94 58.72 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 123.096 2.531 . . . . 0.0 110.581 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.87 -14.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.078 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.19 154.63 19.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.442 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 t -160.08 164.58 32.97 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -118.5 -2.99 10.94 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.689 0.796 . . . . 0.0 110.641 174.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 . . . . . 0 N--CA 1.45 -0.439 0 C-N-CA 123.581 0.752 . . . . 0.0 109.144 177.06 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.38 0.134 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.31 173.59 13.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 123.816 0.847 . . . . 0.0 112.158 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -58.82 146.72 36.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.159 0.584 . . . . 0.0 110.958 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.7 65.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.889 -175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.8 -9.34 56.05 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 118.299 0.5 . . . . 0.0 111.366 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.439 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.97 -10.43 12.9 Favored 'General case' 0 C--O 1.227 -0.087 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -61.43 134.51 56.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.88 0.372 . . . . 0.0 110.04 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.38 2.89 85.24 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.818 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 mtm105 -131.45 -41.18 1.09 Allowed 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.395 1.098 . . . . 0.0 112.226 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.439 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -84.68 137.08 33.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -155.65 149.21 25.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.52 0.2 . . . . 0.0 110.735 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.0 mt -102.0 144.52 30.5 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.858 -0.155 . . . . 0.0 110.669 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.6 mt -119.97 173.19 7.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.783 0.833 . . . . 0.0 110.599 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.9 174.74 43.04 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.33 123.55 34.18 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.7 pt -68.92 -22.39 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 122.568 0.347 . . . . 0.0 110.957 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -82.6 -13.13 57.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.128 0.422 . . . . 0.0 110.867 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 t -94.77 12.6 27.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.476 0.71 . . . . 0.0 109.83 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 60.19 27.33 16.81 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.123 0.969 . . . . 0.0 112.95 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -78.3 143.54 36.89 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.2 p -127.89 10.0 6.43 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.961 0.504 . . . . 0.0 111.32 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -44.73 133.18 6.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.759 0.824 . . . . 0.0 111.599 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -116.77 146.47 42.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.613 0.765 . . . . 0.0 109.051 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -135.01 134.45 40.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.42 133.48 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -113.27 143.96 43.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.146 0.579 . . . . 0.0 109.812 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 46.88 53.12 10.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.92 25.0 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.661 0.267 . . . . 0.0 111.675 -173.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -118.67 162.63 18.1 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.847 0.859 . . . . 0.0 109.232 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.23 -22.04 66.61 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.13 -0.356 . . . . 0.0 111.332 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -82.32 -13.86 56.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.732 0.413 . . . . 0.0 111.496 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.16 -10.83 60.3 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.594 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.4 tttt -63.89 134.27 54.84 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.985 0.914 . . . . 0.0 109.124 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.03 -150.01 21.56 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.4 m -141.96 156.4 45.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.044 0.538 . . . . 0.0 110.429 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -148.61 167.24 25.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -174.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -145.01 158.02 43.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 30.5 t80 -92.92 154.19 18.34 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -129.8 134.41 47.55 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.631 0.373 . . . . 0.0 110.242 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.0 tp -106.86 145.14 32.52 Favored 'General case' 0 C--O 1.227 -0.088 0 C-N-CA 124.0 0.92 . . . . 0.0 110.509 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -150.21 119.6 6.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.033 0.533 . . . . 0.0 109.823 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -153.75 131.51 11.56 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.26 47.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 m -84.36 -0.16 51.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 117.032 0.416 . . . . 0.0 111.427 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -96.98 139.16 33.42 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.211 0.604 . . . . 0.0 112.036 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -142.79 142.62 31.92 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.732 1.213 . . . . 0.0 109.121 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.44 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.5 t-105 -152.97 154.96 36.05 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.3 p -128.61 132.78 48.17 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.958 0.503 . . . . 0.0 110.018 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.285 80.8 m-85 -82.79 63.81 7.09 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -140.66 161.04 38.7 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.397 0.679 . . . . 0.0 109.364 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 CA--C 1.532 0.251 0 C-N-CA 122.571 0.349 . . . . 0.0 111.554 -179.806 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.282 17.7 t80 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -146.33 143.13 28.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.675 0.274 . . . . 0.0 110.69 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.1 t -157.56 162.25 38.78 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.235 0.614 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.96 170.0 17.34 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.046 0.539 . . . . 0.0 110.996 -179.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -140.12 167.28 22.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.762 0.825 . . . . 0.0 110.199 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.3 tp -100.48 127.15 46.91 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.4 t -105.96 142.53 35.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.0 t -126.0 136.32 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.763 0.425 . . . . 0.0 109.964 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.594 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.8 m-85 -125.0 147.35 48.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.1 t -135.98 143.36 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.68 146.06 49.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.4 140.31 58.86 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.082 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.355 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.529 0.927 0 CA-C-O 119.784 -0.453 . . . . 0.0 113.344 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.0 147.24 53.83 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.359 1.079 . . . . 0.0 111.155 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 -16.44 18.53 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.102 0.858 . . . . 0.0 113.048 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.65 116.1 21.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.314 1.057 . . . . 0.0 112.438 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.8 mt -137.14 151.99 49.45 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 122.885 0.474 . . . . 0.0 110.472 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -148.53 147.84 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -129.94 127.37 39.95 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.3 p -157.69 156.26 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.163 0.585 . . . . 0.0 110.517 -176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.45 118.6 9.65 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -70.69 -17.53 62.84 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -174.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -152.24 123.07 7.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.097 0.408 . . . . 0.0 110.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.74 148.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 124.482 1.113 . . . . 0.0 108.183 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.87 140.83 42.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 177.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -152.65 153.77 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.852 0.461 . . . . 0.0 110.869 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -86.68 156.22 20.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.0 140.27 55.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.139 -0.35 . . . . 0.0 110.409 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.02 6.09 65.44 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.626 -1.096 . . . . 0.0 114.754 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.05 174.58 10.92 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.294 1.547 . . . . 0.0 111.498 176.172 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -91.96 167.77 11.88 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.87 154.89 6.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 124.642 1.177 . . . . 0.0 109.404 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -118.78 141.12 48.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.391 0.677 . . . . 0.0 110.06 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.8 t -134.59 88.78 28.01 Favored Pre-proline 0 N--CA 1.458 -0.074 0 C-N-CA 123.731 0.812 . . . . 0.0 110.923 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.6 141.14 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 122.962 2.441 . . . . 0.0 111.302 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HB3' HG23 ' A' ' 15' ' ' VAL . 17.0 p -161.63 166.49 26.75 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.767 0.318 . . . . 0.0 111.35 178.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.5 p -153.64 168.2 27.02 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -137.98 170.26 16.36 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.9 t -147.61 149.79 33.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.795 0.838 . . . . 0.0 110.059 177.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -152.84 155.96 32.62 Favored Pre-proline 0 C--O 1.234 0.239 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.78 159.92 51.75 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.24 2.626 . . . . 0.0 109.986 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.5 tt0 -77.62 -0.82 28.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.899 0.48 . . . . 0.0 112.036 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.58 126.24 28.7 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.41 68.39 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.097 -0.835 . . . . 0.0 114.323 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -151.3 167.55 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.951 1.376 . . . . 0.0 112.532 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.29 165.85 20.61 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.89 -7.54 5.33 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 115.219 1.562 . . . . 0.0 115.219 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -109.72 -3.84 16.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.76 0.424 . . . . 0.0 111.934 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.0 146.01 84.41 Favored Pre-proline 0 N--CA 1.454 -0.275 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.07 159.95 48.74 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.705 2.937 . . . . 0.0 110.04 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.83 141.62 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.67 0.388 . . . . 0.0 110.311 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -149.25 170.54 18.24 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 124.524 1.13 . . . . 0.0 110.493 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.71 162.84 28.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -151.68 175.41 12.41 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -174.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -136.72 150.53 48.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.322 1.049 . . . . 0.0 111.812 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.84 153.05 41.2 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -75.19 136.72 41.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 121.044 0.45 . . . . 0.0 110.736 -175.806 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.601 0.239 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.96 158.02 46.52 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.444 2.763 . . . . 0.0 110.456 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -84.79 -15.16 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.98 155.29 23.08 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.098 0.959 . . . . 0.0 109.617 175.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -161.17 165.96 28.63 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-O 120.85 0.357 . . . . 0.0 111.624 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -121.27 0.33 10.05 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.602 0.761 . . . . 0.0 110.807 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 176.729 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.08 172.45 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -58.52 146.82 34.18 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.072 0.549 . . . . 0.0 111.079 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.24 65.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.586 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -82.1 -8.4 59.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.94 0.337 . . . . 0.0 110.993 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.4 p -123.59 -0.65 8.61 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -61.14 128.91 38.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.31 2.58 59.58 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 119.444 -0.642 . . . . 0.0 113.342 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -121.63 -29.64 4.34 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.506 1.153 . . . . 0.0 112.122 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -97.75 138.63 34.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.8 153.47 28.36 Favored 'General case' 0 N--CA 1.458 -0.067 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -108.41 145.07 35.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.483 0.313 . . . . 0.0 110.256 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.51 168.84 10.3 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.065 0.946 . . . . 0.0 110.301 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.53 174.57 46.41 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.35 138.7 31.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.32 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 C-N-CA 122.563 0.345 . . . . 0.0 110.985 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -83.22 -13.2 55.83 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.842 0.457 . . . . 0.0 111.332 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.4 t -91.76 7.56 41.17 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.214 0.605 . . . . 0.0 110.556 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 57.91 27.75 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.044 0.937 . . . . 0.0 112.453 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -78.52 142.78 37.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -127.87 8.38 6.25 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.083 0.553 . . . . 0.0 111.523 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -44.43 116.99 1.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.172 0.989 . . . . 0.0 111.653 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.3 tp -95.04 145.99 24.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.358 0.663 . . . . 0.0 109.598 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -134.87 133.52 39.77 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.87 132.28 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -113.76 140.93 47.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.767 0.827 . . . . 0.0 109.873 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 47.37 56.19 7.27 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.09 149.93 18.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -135.09 163.57 29.61 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.796 0.838 . . . . 0.0 109.608 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.57 -21.46 60.35 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -80.19 -12.77 59.61 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -75.93 -12.04 60.07 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.13 -0.356 . . . . 0.0 110.901 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.598 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -64.99 132.29 48.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.142 0.577 . . . . 0.0 109.481 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.87 -149.58 21.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.3 m -141.29 154.38 45.7 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.956 0.502 . . . . 0.0 110.936 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -147.77 167.41 24.77 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -144.52 160.23 41.46 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -94.82 154.41 17.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.96 135.06 47.88 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.764 0.425 . . . . 0.0 110.584 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.99 145.37 31.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.418 1.087 . . . . 0.0 110.37 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -150.59 120.13 6.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -153.6 130.33 10.82 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.87 -139.86 45.15 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.5 m -81.5 -4.71 56.7 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.356 -0.496 . . . . 0.0 111.55 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.0 ttp -88.89 139.02 30.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.705 0.802 . . . . 0.0 112.22 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 146.46 34.06 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 173.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.5 t-105 -156.27 151.16 26.15 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.805 0.275 . . . . 0.0 110.821 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.5 m -121.5 129.25 52.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.086 0.554 . . . . 0.0 110.022 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.284 76.4 m-85 -82.73 64.94 7.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.16 159.07 42.98 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.591 0.356 . . . . 0.0 110.128 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.121 0.486 . . . . 0.0 111.92 -176.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 32.4 t80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -146.35 154.03 41.2 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.136 0.493 . . . . 0.0 111.153 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -164.63 153.18 12.57 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.54 169.57 13.92 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.152 0.501 . . . . 0.0 110.888 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -137.0 166.52 23.47 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.889 0.875 . . . . 0.0 110.739 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.59 126.34 47.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.453 0.701 . . . . 0.0 109.401 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.7 t -105.25 143.14 33.84 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -127.99 140.59 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 122.852 0.461 . . . . 0.0 109.923 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.598 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.2 m-85 -129.05 148.29 50.99 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.004 0.522 . . . . 0.0 111.759 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -135.46 143.99 46.19 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 105.486 -2.042 . . . . 0.0 105.486 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.18 139.67 58.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.847 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.19 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.27 143.56 52.46 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.241 1.021 . . . . 0.0 113.188 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.67 -15.03 54.07 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 123.839 0.733 . . . . 0.0 112.725 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -86.33 119.77 26.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.034 0.917 . . . . 0.0 112.479 174.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -136.08 158.6 44.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.667 0.27 . . . . 0.0 110.678 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -144.58 147.49 33.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.699 0.8 . . . . 0.0 109.687 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -131.64 114.08 14.37 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -154.16 153.83 7.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 123.018 0.527 . . . . 0.0 110.663 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -66.7 118.65 10.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.92 -18.14 64.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.52 125.56 7.89 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.328 0.513 . . . . 0.0 110.14 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.39 150.69 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.58 142.89 43.39 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 177.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.24 155.74 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.916 0.486 . . . . 0.0 110.969 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.427 ' HB2' HD11 ' A' ' 25' ' ' LEU . 36.7 mt-30 -90.07 154.81 19.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.21 142.86 56.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.195 -0.315 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.24 3.85 72.07 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.911 -0.938 . . . . 0.0 114.946 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.6 176.07 9.89 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.259 1.53 . . . . 0.0 111.878 176.423 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -91.58 170.11 10.2 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -169.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.52 154.74 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 124.59 1.156 . . . . 0.0 108.936 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -119.91 139.44 52.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.225 0.61 . . . . 0.0 109.729 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.7 t -134.08 89.79 27.89 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.004 0.922 . . . . 0.0 111.228 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.8 143.59 46.24 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.148 2.565 . . . . 0.0 110.822 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 p -161.1 167.0 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 111.005 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.0 t -152.59 169.47 22.59 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.387 0.675 . . . . 0.0 110.404 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.46 169.97 16.67 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -146.3 149.5 33.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -153.52 156.39 32.31 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -172.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.32 157.78 60.37 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.357 2.705 . . . . 0.0 109.805 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -82.19 -2.31 51.87 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -70.05 133.62 47.4 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.67 2.12 79.43 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.242 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.429 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -148.88 163.95 35.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.15 1.475 . . . . 0.0 112.461 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.72 166.58 17.88 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 176.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -64.53 -19.58 65.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -88.36 -9.9 51.16 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.779 0.432 . . . . 0.0 112.129 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -76.58 147.74 78.89 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.59 160.62 47.8 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.776 2.984 . . . . 0.0 110.267 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.74 146.08 21.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -147.79 164.66 32.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.571 1.149 . . . . 0.0 109.891 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.84 155.15 24.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -148.28 169.96 18.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -137.47 147.09 45.03 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.458 1.103 . . . . 0.0 111.365 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -144.57 151.83 39.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.82 0.448 . . . . 0.0 111.662 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -70.86 145.64 50.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.096 178.063 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.09 155.41 52.35 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.013 2.475 . . . . 0.0 110.019 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 122.247 -0.283 . . . . 0.0 111.395 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.55 152.42 12.06 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.301 1.04 . . . . 0.0 108.85 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.5 t -161.73 154.91 20.86 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.847 -0.533 . . . . 0.0 112.374 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -92.02 -10.86 37.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.635 0.774 . . . . 0.0 111.023 173.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.765 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.73 173.15 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 123.316 0.647 . . . . 0.0 111.803 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.64 144.3 43.61 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.564 0.346 . . . . 0.0 111.002 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.04 66.26 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.16 -9.12 58.82 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.019 0.372 . . . . 0.0 111.403 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -115.23 0.38 13.5 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.16 123.58 17.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.42 -4.71 32.72 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.088 -0.84 . . . . 0.0 113.82 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mtm105 -107.67 -30.17 8.72 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.786 1.293 . . . . 0.0 111.83 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -93.54 142.35 27.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.66 147.42 21.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 mt -102.18 144.4 30.77 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.8 mt -118.23 176.53 5.18 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.853 0.861 . . . . 0.0 110.233 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.23 -150.11 33.22 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -140.88 130.29 23.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.45 -29.73 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.936 0.495 . . . . 0.0 111.496 -177.097 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -79.92 -4.07 50.83 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.794 0.438 . . . . 0.0 110.645 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -109.69 13.84 23.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.284 1.034 . . . . 0.0 110.02 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 59.09 21.64 9.63 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.49 1.116 . . . . 0.0 113.537 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -82.95 141.99 31.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.01 11.52 8.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.044 0.537 . . . . 0.0 111.883 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.5 m -45.19 134.43 6.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.491 0.716 . . . . 0.0 112.174 -171.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.6 tp -118.1 149.02 41.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.027 0.931 . . . . 0.0 109.072 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -139.78 135.41 33.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 122.501 0.32 . . . . 0.0 110.4 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.19 132.27 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -112.7 141.82 46.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.35 0.66 . . . . 0.0 109.589 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 48.03 55.02 9.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.65 150.07 16.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 112.004 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -135.0 164.01 28.59 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.238 1.015 . . . . 0.0 109.553 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.18 -20.19 57.5 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.9 -17.96 58.61 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.018 0.372 . . . . 0.0 111.886 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -72.72 -13.11 61.26 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.1 tttt -65.88 128.88 37.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 109.7 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.82 -151.14 22.68 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.5 m -140.59 153.9 46.28 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.913 0.485 . . . . 0.0 110.848 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -148.34 165.95 29.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.19 156.93 45.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.033 0.533 . . . . 0.0 111.071 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -88.0 154.72 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -136.69 132.88 35.51 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.056 0.389 . . . . 0.0 110.824 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.3 tp -104.06 146.36 28.83 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.168 0.987 . . . . 0.0 110.165 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -150.13 121.27 7.76 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -153.89 131.19 11.21 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 123.631 0.772 . . . . 0.0 109.244 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.1 -138.89 49.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.6 p -84.78 -9.08 58.52 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 117.445 0.623 . . . . 0.0 110.654 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.7 ttp -86.11 138.68 31.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.853 0.861 . . . . 0.0 111.637 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -154.51 149.73 27.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.4 t-105 -154.76 139.04 16.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.394 0.14 . . . . 0.0 111.335 -174.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.7 p -101.13 130.11 47.13 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.008 0.523 . . . . 0.0 109.684 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.271 79.3 m-85 -82.87 61.28 5.83 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -137.99 160.29 39.74 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.019 0.528 . . . . 0.0 110.17 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 CA--C 1.532 0.269 0 C-N-CA 122.977 0.511 . . . . 0.0 111.318 -178.59 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.5 t80 . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -145.98 139.03 25.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 117.776 0.262 . . . . 0.0 110.746 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.2 t -158.74 156.88 30.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.463 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -74.98 168.45 19.94 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.198 0.599 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -136.77 169.7 17.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.019 0.927 . . . . 0.0 110.319 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.19 120.45 39.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 142.8 30.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.08 139.92 50.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.8 m-85 -127.27 148.04 50.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.3 t -135.05 143.52 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 122.741 0.416 . . . . 0.0 111.753 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.77 144.93 46.07 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 140.91 58.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.529 0.964 0 CA-C-O 119.946 -0.363 . . . . 0.0 112.826 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.51 140.64 53.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.37 -14.29 46.43 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 123.613 0.625 . . . . 0.0 113.062 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -85.0 119.0 24.91 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.973 0.887 . . . . 0.0 113.146 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -138.85 151.02 46.65 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 118.054 0.388 . . . . 0.0 110.476 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.44 148.46 30.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.851 0.46 . . . . 0.0 109.767 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -128.76 128.01 43.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.158 0.583 . . . . 0.0 109.636 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -156.45 157.54 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 110.743 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.57 120.35 12.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mp0 -69.4 -21.82 63.74 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -153.3 125.1 7.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.024 0.375 . . . . 0.0 110.05 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 t -119.13 148.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.28 138.84 40.49 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.69 155.69 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 122.735 0.414 . . . . 0.0 111.615 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -89.45 156.96 18.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.46 145.44 54.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.151 -0.343 . . . . 0.0 110.929 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 5.89 68.61 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.082 -0.843 . . . . 0.0 114.758 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.6 171.69 14.34 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.114 1.457 . . . . 0.0 111.305 176.225 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.1 m -92.05 165.92 12.94 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -170.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.16 147.01 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 124.031 0.932 . . . . 0.0 109.681 175.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -109.56 140.48 43.31 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.791 0.836 . . . . 0.0 109.641 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -135.33 90.4 20.83 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 123.865 0.866 . . . . 0.0 111.571 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -66.26 148.86 85.26 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.176 2.584 . . . . 0.0 112.001 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 43.1 t -157.78 150.82 23.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.602 0.761 . . . . 0.0 110.927 -175.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -150.83 162.6 40.44 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.09 0.556 . . . . 0.0 110.858 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -139.68 170.5 15.78 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.4 t -147.55 145.63 29.14 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.79 0.836 . . . . 0.0 109.96 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -154.24 155.68 31.13 Favored Pre-proline 0 CA--C 1.529 0.146 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.58 155.69 67.62 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.108 2.539 . . . . 0.0 110.205 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.0 tt0 -80.94 -1.93 45.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.292 0.637 . . . . 0.0 112.26 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.5 141.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.54 90.59 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.849 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -151.22 166.14 31.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.938 1.369 . . . . 0.0 112.387 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.15 166.76 21.08 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.51 -11.98 19.57 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -98.26 -13.31 20.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.101 0.561 . . . . 0.0 111.76 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.08 146.26 89.73 Favored Pre-proline 0 N--CA 1.454 -0.252 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.41 161.88 44.15 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.75 2.967 . . . . 0.0 109.736 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.7 p -145.33 146.56 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.2 166.4 28.99 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.638 1.175 . . . . 0.0 110.253 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.66 158.49 27.68 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -150.79 168.51 24.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -133.41 146.96 51.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.63 1.172 . . . . 0.0 111.21 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -142.38 149.58 39.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -77.54 136.83 38.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.287 -176.419 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.61 156.28 57.91 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.068 2.512 . . . . 0.0 109.788 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -80.96 -17.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.8 151.32 14.42 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.849 0.86 . . . . 0.0 109.184 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.0 t -161.58 165.75 27.97 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.576 0.351 . . . . 0.0 111.574 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.93 -1.59 12.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.571 0.748 . . . . 0.0 111.004 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.136 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 . . . . . 0 CA--C 1.528 0.126 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.69 171.88 16.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.089 0.556 . . . . 0.0 112.496 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -58.83 144.86 42.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.904 0.482 . . . . 0.0 110.798 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.1 -23.79 65.87 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -84.7 -11.43 55.89 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.112 0.414 . . . . 0.0 111.083 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.446 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -113.34 -0.65 14.46 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.65 130.51 46.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.41 2.88 60.62 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.358 -0.69 . . . . 0.0 113.42 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -121.79 -35.41 3.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.366 1.083 . . . . 0.0 112.139 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.446 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.84 137.85 31.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 175.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.96 150.97 24.84 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.842 0.292 . . . . 0.0 110.68 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.4 mt -101.07 144.88 29.45 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -118.41 168.12 10.94 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.398 0.679 . . . . 0.0 110.089 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.96 175.14 41.47 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -95.53 134.14 38.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.14 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-O 120.744 0.306 . . . . 0.0 110.465 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -78.6 -13.05 60.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.359 0.664 . . . . 0.0 110.512 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -96.84 10.85 37.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.735 0.814 . . . . 0.0 109.741 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 60.53 25.8 15.46 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.544 1.137 . . . . 0.0 113.099 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -79.05 147.23 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 2.1 p -134.58 15.12 3.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.123 0.969 . . . . 0.0 111.299 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.3 m -52.54 133.02 36.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.321 0.649 . . . . 0.0 111.0 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -111.16 146.11 37.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.975 0.91 . . . . 0.0 108.745 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -136.55 137.11 39.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.6 mt -116.97 124.85 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -101.24 138.26 38.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.48 0.712 . . . . 0.0 109.747 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 46.07 59.45 3.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.8 150.61 12.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 120.959 0.409 . . . . 0.0 111.9 -174.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -137.0 166.37 23.82 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.072 0.949 . . . . 0.0 109.76 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.02 -17.76 54.02 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -75.38 -15.14 60.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -81.0 -12.85 59.29 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.553 0.341 . . . . 0.0 111.54 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.553 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 87.1 tttt -67.24 134.81 52.35 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.014 0.526 . . . . 0.0 109.672 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.47 -153.54 25.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.3 m -135.92 152.05 50.6 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.082 0.553 . . . . 0.0 110.456 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -145.64 165.99 27.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.65 157.18 44.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 23.4 t80 -96.84 154.62 17.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -133.14 133.14 42.47 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.755 0.422 . . . . 0.0 110.575 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.5 tp -105.67 146.38 29.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.049 0.94 . . . . 0.0 110.433 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -150.87 119.14 6.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.988 0.515 . . . . 0.0 109.64 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -153.1 132.42 12.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.74 -141.6 44.55 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -81.82 -3.89 55.09 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.447 -0.443 . . . . 0.0 111.432 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -92.45 142.36 27.51 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.4 0.619 . . . . 0.0 112.058 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.53 145.92 32.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.777 1.231 . . . . 0.0 107.868 174.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.3 t-105 -152.99 152.63 31.62 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-N 117.61 0.187 . . . . 0.0 110.961 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 t -120.61 130.16 54.05 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 123.028 0.531 . . . . 0.0 109.92 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.263 79.1 m-85 -87.26 66.64 9.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -144.01 157.8 44.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.916 0.388 . . . . 0.0 111.544 -178.138 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.6 t80 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -146.1 140.07 26.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.647 0.261 . . . . 0.0 111.115 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.4 t -160.43 166.05 29.95 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.728 0.811 . . . . 0.0 110.229 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -75.39 164.6 26.23 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.247 0.546 . . . . 0.0 112.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -140.4 159.09 42.96 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.579 1.152 . . . . 0.0 109.592 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.5 tp -100.7 128.72 46.64 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -108.17 142.84 37.79 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.63 141.72 45.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 35.0 m-85 -129.94 145.8 51.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.0 t -136.63 143.21 35.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 122.775 0.43 . . . . 0.0 111.908 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -134.87 146.33 49.12 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.99 141.38 58.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.522 0.201 . . . . 0.0 110.761 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.703 0.287 . . . . 0.0 110.439 -178.022 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.531 1.041 0 CA-C-O 119.726 -0.486 . . . . 0.0 113.203 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.75 140.93 46.03 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.19 -15.5 44.13 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.245 -0.753 . . . . 0.0 112.864 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -84.7 117.24 23.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.583 1.191 . . . . 0.0 112.637 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt -137.22 151.79 49.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.884 0.311 . . . . 0.0 110.662 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -148.62 146.98 28.45 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -130.76 128.31 40.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 31' ' ' CYS . 13.8 p -157.46 157.64 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.78 0.832 . . . . 0.0 110.101 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -65.79 118.05 9.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.89 -17.55 63.35 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.46 124.97 7.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.106 0.412 . . . . 0.0 110.091 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -120.91 148.68 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.2 1.0 . . . . 0.0 108.431 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.91 141.28 42.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.75 155.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 C-N-CA 122.85 0.46 . . . . 0.0 111.541 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HB2' HD11 ' A' ' 25' ' ' LEU . 33.6 mt-30 -87.69 157.94 18.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.37 175.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -71.9 140.66 49.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.212 -0.305 . . . . 0.0 110.504 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.87 4.46 65.17 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.851 -0.971 . . . . 0.0 114.642 175.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.69 174.81 10.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.029 1.414 . . . . 0.0 111.633 177.158 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -91.79 169.62 10.55 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.07 155.35 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 C-N-CA 124.784 1.234 . . . . 0.0 109.302 173.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -120.39 141.38 50.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.443 0.697 . . . . 0.0 110.239 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 t -134.71 88.53 28.08 Favored Pre-proline 0 CA--C 1.528 0.105 0 C-N-CA 123.651 0.78 . . . . 0.0 111.191 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -71.2 142.27 41.31 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.1 2.533 . . . . 0.0 111.319 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.9 p -161.96 166.89 25.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.36 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.8 p -153.79 170.55 20.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.902 0.481 . . . . 0.0 111.331 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.34 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -146.71 148.83 32.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.659 0.783 . . . . 0.0 110.087 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -154.6 156.63 31.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -67.08 157.84 59.74 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.305 2.67 . . . . 0.0 110.281 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.96 -2.21 46.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.198 0.599 . . . . 0.0 112.505 -176.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.52 133.27 47.48 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.26 2.58 79.97 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.341 -0.7 . . . . 0.0 114.361 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.4 p-90 -149.53 167.43 26.31 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 118.875 1.337 . . . . 0.0 112.299 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.22 167.13 18.92 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.56 -0.04 0.85 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.3 p -128.1 0.2 5.85 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.922 0.489 . . . . 0.0 112.307 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 92.0 m-20 -72.69 143.82 85.22 Favored Pre-proline 0 N--CA 1.454 -0.229 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 177.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 46.6 Cg_exo -59.28 157.36 30.88 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.258 2.639 . . . . 0.0 111.544 174.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 p -146.03 146.05 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -148.97 166.12 29.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.815 1.246 . . . . 0.0 110.112 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.81 156.44 26.89 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -148.95 169.22 21.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -135.2 147.88 49.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.637 1.175 . . . . 0.0 111.476 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -143.22 148.78 37.0 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -75.92 138.26 40.9 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.891 0.377 . . . . 0.0 110.455 -177.375 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.66 154.58 59.52 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.884 2.389 . . . . 0.0 110.099 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -82.24 -16.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.99 153.79 14.6 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.063 0.945 . . . . 0.0 109.075 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -161.04 155.79 23.68 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -94.26 -12.73 27.54 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.812 0.845 . . . . 0.0 111.19 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.068 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.563 0.22 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.2 170.36 19.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 123.439 0.696 . . . . 0.0 111.381 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -58.44 146.3 35.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.791 0.436 . . . . 0.0 111.102 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.39 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.96 -10.04 51.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.302 0.501 . . . . 0.0 111.486 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -112.97 -9.14 13.63 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -59.37 132.55 54.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.636 0.374 . . . . 0.0 110.619 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.68 1.96 73.88 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.409 -0.662 . . . . 0.0 113.163 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -128.3 -35.03 2.02 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.277 1.039 . . . . 0.0 112.554 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -86.51 139.28 31.02 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -157.09 147.12 20.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.3 mt -102.27 144.56 30.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -118.29 169.74 9.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.709 0.804 . . . . 0.0 110.739 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.58 173.79 34.59 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -93.87 135.01 35.64 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.438 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -67.91 -26.5 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-O 120.556 0.217 . . . . 0.0 110.45 179.459 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -79.94 -11.86 59.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.358 0.663 . . . . 0.0 110.563 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -99.56 11.37 39.34 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.165 0.986 . . . . 0.0 110.208 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 59.41 25.37 14.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.198 0.999 . . . . 0.0 112.912 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.04 141.9 37.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -125.67 9.69 7.71 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.06 0.544 . . . . 0.0 111.104 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -46.52 132.65 10.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.81 0.844 . . . . 0.0 111.612 -172.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.2 tp -116.38 148.26 40.81 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.88 0.872 . . . . 0.0 109.052 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.7 t -138.05 136.36 36.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.6 124.81 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -101.97 142.18 33.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.235 0.614 . . . . 0.0 109.686 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 45.2 58.19 4.27 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.72 148.75 15.69 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -171.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -136.28 166.24 23.9 Favored 'General case' 0 N--CA 1.46 0.039 0 C-N-CA 123.683 0.793 . . . . 0.0 109.558 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -61.18 -16.36 43.9 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -72.65 -18.41 61.57 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.02 0.528 . . . . 0.0 111.979 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.39 -15.01 56.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.724 0.41 . . . . 0.0 111.809 -176.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.542 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.24 131.52 45.93 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.54 -149.69 21.59 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.3 m -141.08 153.96 45.71 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.246 0.619 . . . . 0.0 110.227 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -147.31 166.81 25.99 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -142.37 158.85 43.25 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.165 0.586 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 31.8 t80 -94.68 154.52 17.28 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -133.77 132.7 40.82 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.56 0.344 . . . . 0.0 110.26 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.8 tp -103.95 145.8 29.6 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.457 1.103 . . . . 0.0 110.307 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -151.61 119.81 6.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -152.93 131.86 12.51 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.677 0.791 . . . . 0.0 109.449 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.18 -138.51 48.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -175.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.1 p -84.51 -8.29 58.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.047 0.423 . . . . 0.0 110.747 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 40.2 ttp -88.12 142.03 28.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.869 0.867 . . . . 0.0 111.539 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -153.47 151.78 30.23 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.288 0.635 . . . . 0.0 109.625 170.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.461 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.2 t-105 -153.66 154.9 35.03 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -173.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.9 t -120.31 127.36 52.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.835 0.454 . . . . 0.0 110.024 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.274 79.2 m-85 -83.09 62.64 6.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -176.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -138.59 162.1 35.44 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.16 0.584 . . . . 0.0 109.653 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 178.396 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.0 t80 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -146.04 151.0 37.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.945 0.402 . . . . 0.0 110.903 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.9 t -163.01 156.7 20.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.543 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -73.0 169.75 16.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.096 0.474 . . . . 0.0 110.939 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -137.67 165.29 26.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.99 0.916 . . . . 0.0 110.544 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.48 124.29 45.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.7 t -102.91 143.01 33.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 54.3 t -128.21 140.64 48.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 C-N-CA 122.833 0.453 . . . . 0.0 109.959 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.542 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.3 m-85 -128.39 146.7 50.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.79 143.36 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.212 0.605 . . . . 0.0 111.49 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -132.5 140.15 48.23 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.19 141.59 58.72 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.454 -0.247 0 C-N-CA 122.893 0.477 . . . . 0.0 109.714 -178.43 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.409 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.983 0 CA-C-O 119.448 -0.64 . . . . 0.0 113.566 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.61 152.5 45.28 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.659 1.229 . . . . 0.0 108.428 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.92 -15.9 13.9 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.313 -0.715 . . . . 0.0 113.412 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.89 121.12 28.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.459 1.13 . . . . 0.0 110.562 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 mt -138.88 151.89 47.34 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.138 0.575 . . . . 0.0 110.325 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -148.46 148.62 30.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.782 0.433 . . . . 0.0 110.042 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -130.84 126.44 36.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.491 ' H ' ' HE3' ' A' ' 128' ' ' LYS . 11.0 p -157.58 157.63 3.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 123.597 0.759 . . . . 0.0 110.846 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.61 119.66 12.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -68.35 -20.68 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.22 124.64 7.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.984 0.357 . . . . 0.0 110.282 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.16 147.2 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.462 1.105 . . . . 0.0 108.408 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.23 139.79 39.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -154.74 155.49 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 122.865 0.466 . . . . 0.0 111.38 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -84.96 158.7 20.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.026 -0.422 . . . . 0.0 110.104 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.27 143.33 48.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.28 0.232 . . . . 0.0 111.072 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.67 5.48 66.66 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.066 -0.852 . . . . 0.0 114.924 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.12 173.93 11.49 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.81 1.305 . . . . 0.0 111.302 177.007 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -91.98 167.12 12.33 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -170.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.61 155.96 5.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.345 1.058 . . . . 0.0 109.232 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -120.5 140.87 50.8 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.741 0.816 . . . . 0.0 110.296 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.41 88.34 30.09 Favored Pre-proline 0 C--N 1.333 -0.139 0 C-N-CA 123.898 0.879 . . . . 0.0 110.915 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.76 141.89 50.88 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.119 2.546 . . . . 0.0 111.285 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.8 p -162.95 166.95 23.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 111.206 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.2 p -154.03 169.62 23.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.009 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -138.01 168.88 18.8 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -147.38 149.56 33.0 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.475 0.71 . . . . 0.0 110.226 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -153.28 156.53 32.59 Favored Pre-proline 0 CA--C 1.53 0.195 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -174.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.66 154.44 74.41 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.274 2.649 . . . . 0.0 109.922 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -79.16 -0.67 32.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.784 0.434 . . . . 0.0 112.022 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.25 129.9 40.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.52 4.54 70.38 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.23 -0.761 . . . . 0.0 114.271 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -151.14 165.86 32.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.626 1.213 . . . . 0.0 112.782 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.21 166.96 19.99 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -62.46 -13.83 34.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -92.43 -12.3 32.51 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.003 0.521 . . . . 0.0 111.617 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.07 156.17 91.04 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.65 173.07 14.99 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 124.012 3.142 . . . . 0.0 110.697 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.14 143.0 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 123.021 0.528 . . . . 0.0 110.943 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -149.61 163.88 36.67 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.776 0.83 . . . . 0.0 110.822 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.52 156.78 26.4 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -151.44 174.42 13.39 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -138.96 147.82 42.71 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.158 0.983 . . . . 0.0 112.141 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -142.84 150.77 40.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -76.53 136.35 39.3 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 O-C-N 122.077 -0.389 . . . . 0.0 110.661 -176.613 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.41 159.36 43.42 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 123.439 2.759 . . . . 0.0 110.387 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.54 -15.62 10.92 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.17 18.34 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.009 0.924 . . . . 0.0 109.412 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -161.45 162.62 30.59 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.678 0.275 . . . . 0.0 111.215 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -112.95 -1.54 14.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.376 0.67 . . . . 0.0 110.729 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.198 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.671 0.272 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.97 169.34 16.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 123.756 0.823 . . . . 0.0 111.242 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -58.6 147.29 32.95 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.143 0.577 . . . . 0.0 111.519 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.7 63.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -87.41 -9.19 55.39 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.054 0.388 . . . . 0.0 111.091 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.81 -6.54 11.04 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -58.6 135.01 57.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 110.933 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 4.16 69.71 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.171 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -129.67 -39.43 1.45 Allowed 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.631 1.215 . . . . 0.0 112.688 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -80.05 138.14 36.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -156.73 153.24 28.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.406 0.282 . . . . 0.0 110.54 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.4 mt -108.4 144.27 36.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.656 0.382 . . . . 0.0 110.236 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.3 mt -119.1 170.64 8.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.17 0.988 . . . . 0.0 110.557 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.99 171.67 38.04 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.65 128.21 34.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.8 pt -71.32 -21.23 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -85.06 2.01 45.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.056 0.542 . . . . 0.0 111.213 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -119.49 15.6 12.91 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.028 0.931 . . . . 0.0 110.056 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 59.26 26.88 15.78 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.417 1.087 . . . . 0.0 113.587 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.25 140.36 38.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.6 p -127.41 8.63 6.53 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.104 0.562 . . . . 0.0 111.615 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.0 m -44.48 114.01 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.271 1.028 . . . . 0.0 111.665 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.1 tp -90.69 145.12 25.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -135.13 135.59 41.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 172.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.28 125.08 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -102.49 142.05 34.32 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 45.08 58.53 4.01 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.9 149.81 14.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -134.79 165.7 24.68 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 124.055 0.942 . . . . 0.0 109.302 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.19 -16.99 50.71 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -73.37 -16.88 61.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.565 0.746 . . . . 0.0 112.006 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -84.15 -12.14 55.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.023 0.529 . . . . 0.0 112.214 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.78 133.7 49.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.83 -151.91 23.83 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.5 m -139.78 152.92 46.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.209 0.603 . . . . 0.0 110.138 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -147.36 166.89 25.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -143.91 158.39 43.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.26 21.3 t80 -91.05 154.36 19.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -135.0 144.96 47.66 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 122.626 0.37 . . . . 0.0 110.058 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.9 tp -122.37 144.56 48.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -133.76 125.33 28.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 112' ' ' ARG . 15.0 tpt180 -152.61 114.02 4.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.51 -137.65 45.11 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 m -79.95 -4.71 53.6 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.753 0.277 . . . . 0.0 111.71 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 61.2 ttp -91.97 144.94 24.94 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.367 0.667 . . . . 0.0 111.621 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 148.71 39.1 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 173.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.409 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 69.6 t-105 -156.24 155.75 32.9 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-O 120.431 0.158 . . . . 0.0 110.975 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.3 p -128.17 130.35 47.91 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.227 0.611 . . . . 0.0 110.223 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.276 79.6 m-85 -83.16 56.8 3.65 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -129.88 152.08 49.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.022 0.529 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.456 -0.135 0 C-N-CA 122.876 0.47 . . . . 0.0 111.646 -177.575 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.9 t80 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -145.47 137.84 25.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.917 0.326 . . . . 0.0 111.478 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.1 t -161.51 154.08 20.27 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.717 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.491 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 62.8 pttt -80.8 169.36 17.69 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.128 0.49 . . . . 0.0 110.711 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -133.99 168.75 18.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.594 0.758 . . . . 0.0 111.293 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.54 134.32 43.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.76 0.824 . . . . 0.0 109.033 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.63 143.03 45.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.9 t -127.89 139.21 52.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.2 m-85 -127.78 146.01 50.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.13 143.51 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.006 0.522 . . . . 0.0 111.177 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -133.15 143.41 49.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.79 140.36 56.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.975 0.417 . . . . 0.0 110.119 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 -176.51 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.877 0 CA-C-O 119.693 -0.504 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -66.45 151.89 46.27 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.656 1.228 . . . . 0.0 108.793 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.65 13.86 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.741 0.686 . . . . 0.0 112.836 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -84.54 120.76 26.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.235 1.017 . . . . 0.0 112.837 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.6 mt -140.03 152.36 46.18 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.595 0.358 . . . . 0.0 110.29 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.75 146.75 28.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -130.06 126.5 37.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.958 0.503 . . . . 0.0 109.695 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -156.98 156.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.586 0.754 . . . . 0.0 110.507 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.76 117.43 7.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -67.54 -19.33 65.28 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 tp -153.53 125.23 7.7 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.116 0.416 . . . . 0.0 109.895 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -120.73 147.58 24.45 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 124.483 1.113 . . . . 0.0 108.258 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.23 140.56 41.76 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -155.57 154.03 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 122.561 0.344 . . . . 0.0 111.683 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -84.93 157.88 20.71 Favored 'General case' 0 CA--C 1.529 0.143 0 O-C-N 121.838 -0.539 . . . . 0.0 109.7 174.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -71.33 142.4 50.43 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.063 -0.398 . . . . 0.0 110.648 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.59 5.94 64.5 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.982 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.92 171.38 14.52 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.011 1.405 . . . . 0.0 111.577 176.307 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -91.74 163.66 14.0 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.25 151.01 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.35 1.06 . . . . 0.0 109.075 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -114.23 143.41 44.89 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.409 0.684 . . . . 0.0 110.345 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.5 87.89 25.83 Favored Pre-proline 0 N--CA 1.455 -0.19 0 C-N-CA 123.961 0.904 . . . . 0.0 110.998 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.3 143.16 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.143 2.562 . . . . 0.0 111.273 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.3 p -162.46 166.04 25.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.773 0.321 . . . . 0.0 111.198 178.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -153.01 169.17 23.55 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.047 0.539 . . . . 0.0 111.196 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -140.54 171.66 13.8 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.09 148.04 31.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.539 0.736 . . . . 0.0 110.336 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -154.54 155.27 30.48 Favored Pre-proline 0 N--CA 1.456 -0.163 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -174.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.07 157.71 60.6 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.252 2.635 . . . . 0.0 110.074 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.0 tt0 -80.29 -0.03 34.84 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.965 0.506 . . . . 0.0 112.197 -177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.97 129.05 38.74 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -177.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.85 4.51 72.35 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.394 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.2 p-90 -152.14 166.9 30.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.887 1.343 . . . . 0.0 111.898 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.17 165.69 22.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.1 -13.38 26.15 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 t -95.11 -13.35 25.17 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.619 0.368 . . . . 0.0 111.614 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.86 146.23 87.58 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -71.55 160.71 47.6 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.903 3.069 . . . . 0.0 109.861 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.5 145.47 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 122.779 0.432 . . . . 0.0 110.107 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -148.19 166.09 28.94 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.4 1.08 . . . . 0.0 110.302 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.43 157.65 27.26 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -151.03 170.75 18.62 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -174.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -135.33 147.77 49.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.59 1.156 . . . . 0.0 111.563 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -142.86 154.28 43.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.016 0.527 . . . . 0.0 110.783 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.49 146.58 36.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.979 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.37 0.129 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.36 155.98 55.16 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.156 2.57 . . . . 0.0 109.938 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -83.83 -16.41 10.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 176.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 153.0 18.25 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.005 0.922 . . . . 0.0 109.573 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.54 165.06 29.08 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 122.739 0.415 . . . . 0.0 111.38 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -116.11 0.36 12.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.525 0.73 . . . . 0.0 110.785 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 . . . . . 0 N--CA 1.449 -0.516 0 C-N-CA 123.399 0.679 . . . . 0.0 109.25 177.206 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.15 171.75 16.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.729 0.812 . . . . 0.0 111.687 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -58.61 147.3 32.98 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 123.102 0.561 . . . . 0.0 111.232 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.19 63.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.397 0.279 . . . . 0.0 111.646 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -87.74 -7.26 57.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.934 0.334 . . . . 0.0 111.511 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -119.12 -7.77 10.28 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -60.22 134.47 57.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.924 0.393 . . . . 0.0 110.737 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.22 70.43 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.071 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -129.22 -35.87 1.76 Allowed 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.364 1.082 . . . . 0.0 112.589 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.96 136.56 32.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -157.28 152.96 26.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.625 0.25 . . . . 0.0 110.552 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.7 mt -102.59 144.73 30.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.7 mt -117.81 169.27 9.74 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.902 0.881 . . . . 0.0 110.26 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.27 177.18 42.97 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -94.89 136.34 35.32 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -68.12 -29.08 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.612 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -79.29 -13.02 59.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.353 0.661 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -95.42 9.41 40.1 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.366 0.667 . . . . 0.0 109.752 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 59.09 27.69 16.74 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.255 1.022 . . . . 0.0 112.869 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -79.95 143.22 34.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.7 p -127.71 8.45 6.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.525 0.73 . . . . 0.0 111.141 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -44.6 122.06 2.95 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.112 0.965 . . . . 0.0 111.648 -172.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.0 tp -102.11 143.84 31.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -133.06 133.33 42.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.36 125.11 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -102.98 141.35 35.93 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 44.37 58.51 3.75 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.75 145.87 22.96 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -125.36 163.07 23.39 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -64.55 -9.82 21.72 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -78.5 -17.51 56.14 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.139 0.576 . . . . 0.0 111.984 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.01 -13.88 59.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -66.03 133.38 50.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.934 0.494 . . . . 0.0 109.863 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.43 -150.26 22.34 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.2 m -140.9 153.77 45.84 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 122.94 0.496 . . . . 0.0 110.079 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -147.09 165.39 30.07 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -173.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -138.84 156.72 47.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.207 0.603 . . . . 0.0 110.293 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -92.52 154.47 18.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -131.82 136.41 47.48 Favored 'General case' 0 C--N 1.338 0.068 0 C-N-CA 123.02 0.528 . . . . 0.0 110.41 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.15 143.42 40.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.053 0.941 . . . . 0.0 110.361 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -147.8 119.88 8.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.131 0.572 . . . . 0.0 109.87 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -153.67 129.86 10.43 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -139.61 47.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 t -81.71 -11.1 59.19 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.611 -0.346 . . . . 0.0 110.768 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -85.5 139.26 31.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.309 0.644 . . . . 0.0 111.845 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -143.66 142.39 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.382 1.473 . . . . 0.0 108.722 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -152.26 154.92 36.68 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.552 0.215 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.4 t -127.22 131.9 50.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.205 0.602 . . . . 0.0 109.898 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 80.9 m-85 -84.29 63.58 7.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -141.96 163.63 32.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.824 0.85 . . . . 0.0 109.772 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.901 0.381 . . . . 0.0 111.155 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.02 152.95 40.18 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 120.912 0.387 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.0 t -162.82 162.5 26.55 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.06 0.544 . . . . 0.0 110.834 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -76.52 170.74 15.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.598 0.359 . . . . 0.0 111.081 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -138.12 165.17 27.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.983 0.913 . . . . 0.0 110.059 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 tp -100.58 123.0 44.2 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.6 t -102.54 142.02 34.41 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.48 138.3 55.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.974 0.509 . . . . 0.0 109.798 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.0 m-85 -126.94 144.81 50.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.9 t -136.81 143.38 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -131.86 142.73 49.78 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.38 140.74 58.55 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.626 0.25 . . . . 0.0 110.661 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.989 0 CA-C-O 119.774 -0.459 . . . . 0.0 113.39 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -66.84 152.26 45.94 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.721 1.261 . . . . 0.0 109.162 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.35 -16.22 14.47 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 123.851 0.739 . . . . 0.0 112.644 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.54 119.44 24.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.211 1.006 . . . . 0.0 112.231 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -136.75 159.12 42.8 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.542 0.337 . . . . 0.0 110.549 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -144.98 143.77 30.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.328 0.651 . . . . 0.0 109.68 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -130.33 113.6 14.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.74 155.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.276 0.63 . . . . 0.0 110.481 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.52 118.67 10.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.78 -18.53 64.21 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -153.84 124.4 7.12 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.396 0.544 . . . . 0.0 110.385 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.26 149.56 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.461 1.104 . . . . 0.0 108.373 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.81 139.51 38.23 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.58 156.03 5.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.079 0 C-N-CA 122.911 0.485 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -89.48 157.51 18.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.011 -0.431 . . . . 0.0 110.15 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.68 143.81 53.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.274 -0.267 . . . . 0.0 110.805 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.26 5.78 67.15 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.842 -0.977 . . . . 0.0 114.763 174.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -147.12 172.97 12.95 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.389 1.595 . . . . 0.0 111.748 177.083 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -91.69 167.61 12.07 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -155.38 156.81 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.807 1.243 . . . . 0.0 109.063 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.43 140.74 51.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.667 0.787 . . . . 0.0 109.961 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.29 90.18 25.85 Favored Pre-proline 0 N--CA 1.457 -0.114 0 C-N-CA 124.051 0.94 . . . . 0.0 110.843 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.01 144.1 46.49 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.259 2.64 . . . . 0.0 111.177 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.3 p -162.16 168.49 22.43 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.423 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.5 t -151.96 168.36 25.45 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.85 0.86 . . . . 0.0 110.689 -177.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -140.3 168.43 19.83 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -147.71 150.03 33.54 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.89 0.476 . . . . 0.0 109.935 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.9 155.98 33.98 Favored Pre-proline 0 CA--C 1.53 0.198 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -173.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.14 156.79 64.47 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.218 2.612 . . . . 0.0 109.819 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -78.7 -1.2 33.34 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 112.102 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.12 127.91 34.77 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.44 4.84 67.76 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.15 -0.806 . . . . 0.0 114.58 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.459 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 65.9 p-90 -151.75 167.29 28.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 118.961 1.38 . . . . 0.0 112.358 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.39 164.47 22.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -60.42 -27.67 67.66 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -176.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -89.59 -3.44 58.29 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.3 149.35 91.53 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.38 160.44 49.53 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.809 3.006 . . . . 0.0 109.916 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.91 148.93 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.627 0.371 . . . . 0.0 110.158 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -148.97 164.05 35.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.653 1.181 . . . . 0.0 110.161 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.02 155.23 26.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -150.03 173.0 14.34 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -174.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -138.73 146.53 41.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.66 1.184 . . . . 0.0 111.266 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.01 151.46 40.86 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -74.19 144.81 44.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.389 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.68 155.26 58.99 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.715 2.277 . . . . 0.0 110.451 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -80.52 -17.2 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 122.233 -0.292 . . . . 0.0 111.264 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.91 150.28 11.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.365 1.066 . . . . 0.0 109.019 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 t -160.2 155.79 25.53 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -94.01 -13.18 27.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.695 0.798 . . . . 0.0 110.924 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.209 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 CA--C 1.529 0.157 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.08 169.44 21.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.634 0.774 . . . . 0.0 111.48 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -58.41 145.34 38.82 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.836 0.454 . . . . 0.0 110.985 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.35 64.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -88.31 -9.49 52.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.286 0.494 . . . . 0.0 111.666 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.466 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -112.84 -7.97 13.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -60.1 131.55 51.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.923 0.392 . . . . 0.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.49 2.41 74.5 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.357 -0.69 . . . . 0.0 112.843 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -127.26 -33.9 2.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.381 1.091 . . . . 0.0 112.578 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.466 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.0 m-85 -88.24 140.22 29.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 175.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -156.77 146.43 20.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.7 mt -99.47 144.28 28.74 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 mt -116.16 171.2 7.96 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.658 0.783 . . . . 0.0 110.146 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.38 -156.55 51.27 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.252 6.7 p30 -137.2 144.41 42.84 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -24.66 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.632 0.773 . . . . 0.0 111.347 -177.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -81.29 6.66 13.51 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.218 0.607 . . . . 0.0 112.067 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.2 t -129.23 16.16 6.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.081 0.953 . . . . 0.0 109.546 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 59.49 20.5 8.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.716 1.206 . . . . 0.0 113.806 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -79.73 139.09 37.44 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.0 p -122.95 10.76 9.52 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.806 0.443 . . . . 0.0 111.843 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.8 m -44.56 133.99 5.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.768 0.827 . . . . 0.0 111.959 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.8 tp -119.87 148.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.99 0.916 . . . . 0.0 108.981 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.4 t -138.44 136.82 36.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 175.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.18 124.83 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -101.43 140.84 35.16 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.323 0.649 . . . . 0.0 109.42 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 46.1 55.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.68 150.5 12.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -141.95 168.42 19.78 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.806 0.842 . . . . 0.0 109.853 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.12 -16.45 32.29 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -73.52 -17.2 61.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.105 0.412 . . . . 0.0 111.928 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -83.92 -13.53 53.26 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.765 0.426 . . . . 0.0 111.739 -177.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.55 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -66.73 133.76 50.82 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.78 -149.93 22.01 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.6 m -139.17 152.85 47.74 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.134 0.574 . . . . 0.0 110.427 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -146.33 165.9 27.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -174.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -140.28 157.43 45.59 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.984 0.514 . . . . 0.0 111.729 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -87.93 154.6 20.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -132.09 133.5 44.4 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-O 120.694 0.283 . . . . 0.0 110.677 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.6 tp -105.46 143.55 33.47 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.303 1.041 . . . . 0.0 110.293 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -150.37 121.1 7.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 172.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -154.31 133.24 12.35 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 123.561 0.744 . . . . 0.0 109.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.8 -138.08 47.67 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -177.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.7 t -85.45 -1.8 57.44 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.735 0.414 . . . . 0.0 111.103 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.4 ttp -91.08 126.64 36.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.332 0.653 . . . . 0.0 112.173 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 143.58 50.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.419 1.088 . . . . 0.0 108.859 172.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.405 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.4 t-105 -157.3 153.11 26.9 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.871 0.305 . . . . 0.0 110.728 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.6 p -129.67 140.36 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.205 0.602 . . . . 0.0 109.692 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.291 79.5 m-85 -88.63 65.45 7.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -141.92 159.72 41.65 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 122.992 0.517 . . . . 0.0 111.85 -177.847 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -146.42 154.01 41.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.2 t -163.9 151.39 12.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.612 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.79 169.63 16.34 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.992 0.425 . . . . 0.0 111.006 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -135.37 169.99 16.64 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.703 0.801 . . . . 0.0 111.032 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.41 124.91 46.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.0 t -103.07 143.23 32.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.71 141.65 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.55 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.3 m-85 -129.77 145.89 51.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.1 t -136.16 143.22 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.642 0.377 . . . . 0.0 111.856 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.3 144.81 49.92 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.22 141.96 57.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.436 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 122.546 0.338 . . . . 0.0 110.402 -177.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.897 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.874 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -61.0 146.32 47.51 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.364 1.082 . . . . 0.0 112.134 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 -15.49 16.16 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.098 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -82.97 115.68 21.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.632 1.216 . . . . 0.0 112.378 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -136.89 151.02 48.61 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 148.22 29.96 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.997 0.519 . . . . 0.0 109.824 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -130.75 127.84 39.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.7 p -157.59 156.29 4.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.716 0.806 . . . . 0.0 110.571 -176.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.93 118.89 10.38 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 175.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.96 -17.26 62.67 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.3 tp -153.0 123.98 7.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 118.077 0.399 . . . . 0.0 110.119 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 t -119.78 148.42 22.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.504 1.121 . . . . 0.0 108.447 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.6 141.68 41.28 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.16 155.42 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.723 0.409 . . . . 0.0 111.261 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -87.48 157.99 19.06 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.88 -0.513 . . . . 0.0 109.813 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.57 142.08 50.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.173 -0.329 . . . . 0.0 111.578 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 6.62 67.66 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.823 -0.987 . . . . 0.0 114.364 175.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.07 172.29 13.28 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 175.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -92.18 167.07 12.3 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -170.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.43 156.53 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.406 1.082 . . . . 0.0 109.348 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -122.05 139.97 53.07 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.557 0.743 . . . . 0.0 109.725 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -132.41 89.76 35.68 Favored Pre-proline 0 C--O 1.232 0.178 0 C-N-CA 124.37 1.068 . . . . 0.0 110.917 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.76 140.48 42.8 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 123.081 2.521 . . . . 0.0 111.197 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.456 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.6 p -161.93 166.2 26.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.226 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -154.62 170.23 22.0 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 122.769 0.428 . . . . 0.0 110.958 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -138.9 169.66 17.39 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -147.02 149.93 34.1 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.687 0.795 . . . . 0.0 110.084 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.412 ' CD2' ' HE1' ' A' ' 115' ' ' MET . 12.0 p90 -152.07 157.4 34.13 Favored Pre-proline 0 N--CA 1.454 -0.239 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -173.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.33 159.32 53.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.292 2.661 . . . . 0.0 110.275 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.46 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.4 tt0 -80.14 -2.21 43.64 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -70.42 132.32 45.42 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.75 77.36 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.153 -0.804 . . . . 0.0 114.057 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.05 167.55 25.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.965 1.382 . . . . 0.0 112.302 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.88 167.2 19.35 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.11 -11.91 16.64 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.3 m -101.35 -6.02 24.63 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -77.36 146.14 73.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -71.25 160.06 50.03 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.869 3.046 . . . . 0.0 109.893 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.44 141.03 22.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -149.08 170.58 18.07 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.242 1.017 . . . . 0.0 110.461 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.56 160.07 28.03 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -149.43 171.61 16.29 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -174.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -135.77 149.89 49.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.288 1.035 . . . . 0.0 111.809 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -145.61 149.47 34.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -75.28 137.23 41.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 110.374 -176.721 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -72.99 152.55 51.71 Favored 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 123.071 2.514 . . . . 0.0 110.302 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -81.44 -16.4 12.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.33 153.2 17.46 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.63 0.772 . . . . 0.0 109.46 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.0 t -161.14 162.12 31.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.677 0.275 . . . . 0.0 111.681 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -108.91 0.29 20.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.654 0.782 . . . . 0.0 110.78 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.257 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.855 0.36 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -124.57 176.33 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.586 0.754 . . . . 0.0 111.901 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -58.49 143.5 45.51 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 122.665 0.386 . . . . 0.0 110.954 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -20.94 66.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -83.3 -6.36 59.44 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.212 -0.305 . . . . 0.0 111.464 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p -126.39 -2.36 6.86 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -59.88 131.51 51.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.26 58.93 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.366 -0.686 . . . . 0.0 113.325 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 79' ' ' ARG . 37.9 mtm105 -119.61 -36.21 3.38 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.692 1.246 . . . . 0.0 111.256 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -88.25 139.4 30.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 174.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -157.26 152.51 26.19 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.307 0.243 . . . . 0.0 110.574 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.8 mt -106.93 145.18 32.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.792 0.329 . . . . 0.0 110.475 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -118.01 168.65 10.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.104 0.961 . . . . 0.0 110.361 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.85 173.81 45.91 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.99 139.45 30.6 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -28.06 37.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.875 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -82.97 -11.76 57.87 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 122.703 0.401 . . . . 0.0 111.095 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -93.56 7.53 44.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.514 0.725 . . . . 0.0 110.131 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 58.03 28.46 16.31 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.813 0.845 . . . . 0.0 112.503 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -78.74 142.61 36.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.2 p -128.28 8.65 6.06 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 111.255 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -44.94 115.66 0.93 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.128 0.971 . . . . 0.0 111.796 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.8 tp -93.08 146.11 23.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.1 t -135.46 134.05 39.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 172.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -107.44 125.2 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -103.18 140.35 37.47 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 46.27 58.73 4.27 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 151.1 17.26 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -134.47 162.73 31.43 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 124.016 0.926 . . . . 0.0 109.668 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -58.43 -22.65 55.01 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -72.9 -20.89 60.99 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.528 0.731 . . . . 0.0 111.819 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.31 -11.94 60.16 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.9 tttt -64.96 131.7 47.32 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.187 0.595 . . . . 0.0 109.563 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.08 -151.92 23.38 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -140.62 154.84 46.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.06 0.544 . . . . 0.0 110.477 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -147.35 166.17 27.95 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -173.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -141.9 158.78 43.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.316 0.646 . . . . 0.0 110.011 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 24.0 t80 -96.66 154.33 17.35 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -130.9 133.61 46.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.698 0.399 . . . . 0.0 110.79 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.1 tp -102.9 144.78 30.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.185 0.994 . . . . 0.0 110.6 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -151.36 120.25 6.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.824 0.45 . . . . 0.0 109.871 173.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -153.61 130.65 11.04 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 123.91 0.884 . . . . 0.0 108.978 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.16 -138.29 45.71 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -176.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.2 m -84.84 -1.52 56.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.071 0.436 . . . . 0.0 111.801 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.412 ' HE1' ' CD2' ' A' ' 35' ' ' TYR . 44.3 ttp -91.84 135.27 34.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.573 0.749 . . . . 0.0 111.164 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -142.13 145.7 34.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.867 1.267 . . . . 0.0 109.451 177.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.7 t-105 -157.05 156.91 33.66 Favored 'General case' 0 C--O 1.23 0.042 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.0 t -128.57 132.96 48.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.452 0.701 . . . . 0.0 110.141 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.297 79.5 m-85 -86.39 67.63 9.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -173.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -144.71 163.67 33.3 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.301 0.64 . . . . 0.0 109.689 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--N 1.331 -0.238 0 C-N-CA 122.594 0.358 . . . . 0.0 111.367 -179.748 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.26 12.6 t80 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.19 143.17 29.09 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.6 0.238 . . . . 0.0 110.534 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -158.32 158.61 34.69 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.959 0.504 . . . . 0.0 110.32 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.68 169.19 18.74 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 121.055 0.455 . . . . 0.0 111.191 -178.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -137.31 165.51 26.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.935 0.894 . . . . 0.0 110.431 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.54 126.98 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.8 t -105.91 143.06 34.59 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.28 139.02 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.577 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.2 m-85 -127.78 146.92 50.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.29 143.46 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.316 0.646 . . . . 0.0 111.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.87 145.61 48.44 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.81 141.0 58.93 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 110.962 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.904 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.834 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.3 146.72 38.53 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.97 -15.84 19.1 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 123.615 0.626 . . . . 0.0 112.906 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.6 119.08 24.79 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.2 1.0 . . . . 0.0 112.989 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -138.88 150.81 46.39 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.609 0.364 . . . . 0.0 110.758 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.22 146.92 28.88 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.836 0.454 . . . . 0.0 110.354 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -127.69 128.98 46.37 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.271 0.628 . . . . 0.0 109.548 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -160.29 156.79 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.516 0.726 . . . . 0.0 110.773 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.32 120.22 12.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -67.97 -20.91 65.08 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -174.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -153.85 123.67 6.78 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 118.043 0.383 . . . . 0.0 110.343 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 t -118.77 147.88 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 124.456 1.102 . . . . 0.0 108.282 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.66 140.68 40.97 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -154.59 154.31 7.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.738 0.415 . . . . 0.0 111.455 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -85.85 157.95 20.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.988 -0.445 . . . . 0.0 109.901 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.69 141.26 49.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.249 -0.282 . . . . 0.0 111.034 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.77 6.65 63.58 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.021 -0.877 . . . . 0.0 114.968 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.98 175.71 10.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.858 1.329 . . . . 0.0 111.707 176.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -91.53 168.43 11.52 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -169.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.6 154.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.653 1.181 . . . . 0.0 109.26 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -119.39 139.63 51.69 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.693 0.797 . . . . 0.0 110.018 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -134.17 90.54 25.45 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.173 0.989 . . . . 0.0 111.561 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -65.13 147.55 88.53 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.464 2.776 . . . . 0.0 111.478 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.8 t -157.39 150.73 23.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.563 0.745 . . . . 0.0 110.802 -175.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -151.95 162.81 40.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.385 0.674 . . . . 0.0 111.013 176.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -140.97 170.31 15.98 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -147.19 145.95 29.67 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.818 0.847 . . . . 0.0 109.865 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -153.44 155.57 31.74 Favored Pre-proline 0 C--O 1.232 0.177 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.37 157.79 60.1 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.38 2.72 . . . . 0.0 110.479 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.3 tt0 -79.16 -1.25 35.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.995 0.518 . . . . 0.0 112.13 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.07 130.13 42.19 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.49 4.63 80.03 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.164 -0.798 . . . . 0.0 114.508 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.0 p-90 -150.86 164.77 35.47 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.045 1.422 . . . . 0.0 112.835 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 168.29 17.02 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.63 -12.08 30.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -97.42 -11.87 23.39 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.01 0.524 . . . . 0.0 111.519 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.19 147.91 93.63 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.55 163.12 39.48 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.802 3.001 . . . . 0.0 110.385 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.53 142.63 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -147.75 161.34 41.43 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.932 0.893 . . . . 0.0 110.261 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.43 156.86 27.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -151.72 170.98 18.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -175.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -135.38 145.85 47.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.606 1.162 . . . . 0.0 111.197 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -141.29 150.87 43.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -76.09 136.91 39.87 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.975 -175.06 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.417 0.151 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.83 156.62 62.71 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.685 2.923 . . . . 0.0 110.169 173.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -85.64 -15.78 10.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.46 144.93 9.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.495 0.718 . . . . 0.0 110.316 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -168.91 165.13 11.65 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.469 0.708 . . . . 0.0 110.789 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.26 -5.14 11.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.409 0.684 . . . . 0.0 112.054 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.11 171.87 2.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -58.63 146.85 34.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.487 0.715 . . . . 0.0 111.709 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.8 64.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -85.93 -11.21 53.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.107 0.412 . . . . 0.0 111.141 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -113.66 -1.7 13.96 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -60.47 131.5 50.95 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.53 1.62 52.97 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 118.739 -1.034 . . . . 0.0 113.504 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -120.65 -35.83 3.3 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.932 1.366 . . . . 0.0 112.315 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -83.82 140.25 32.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -156.74 146.49 20.82 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.5 mt -99.35 141.76 31.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.9 mt -113.45 -9.57 13.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.666 0.386 . . . . 0.0 111.387 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.06 143.07 22.82 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.08 127.03 31.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -24.85 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.556 0.343 . . . . 0.0 111.248 -177.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -89.93 6.06 43.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.157 0.583 . . . . 0.0 111.729 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -123.77 14.77 9.37 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.737 0.815 . . . . 0.0 110.687 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 57.53 24.23 10.11 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.121 0.969 . . . . 0.0 112.995 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -89.8 152.5 21.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.421 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 1.8 p -135.0 16.7 3.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.725 0.81 . . . . 0.0 111.921 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -52.16 134.76 32.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.756 0.422 . . . . 0.0 111.335 -175.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -119.36 151.56 38.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.319 1.048 . . . . 0.0 109.082 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.6 t -141.85 141.67 33.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.93 124.71 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -102.27 142.15 33.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 46.33 57.38 5.4 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.55 149.8 13.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -139.3 166.63 24.04 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.759 0.824 . . . . 0.0 109.874 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.61 -13.26 20.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -75.75 -16.48 60.12 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.907 0.483 . . . . 0.0 111.748 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -84.47 -14.76 48.28 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.6 0.36 . . . . 0.0 111.486 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.57 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -67.28 133.33 49.48 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.59 -149.44 21.38 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.9 m -141.26 153.59 45.31 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 123.061 0.545 . . . . 0.0 110.295 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -147.54 164.91 31.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -141.61 156.75 45.66 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.178 0.591 . . . . 0.0 109.647 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -92.05 154.57 18.67 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -130.72 130.26 43.58 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.534 0.333 . . . . 0.0 110.161 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.7 tp -100.64 144.8 29.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.772 0.829 . . . . 0.0 110.472 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -148.1 118.77 7.5 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.73 0.412 . . . . 0.0 110.066 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -153.84 131.95 11.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.351 0.66 . . . . 0.0 109.348 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.15 -140.78 47.7 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.5 p -83.82 -6.13 59.36 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.243 -0.563 . . . . 0.0 110.85 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -89.53 139.72 30.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.243 0.617 . . . . 0.0 112.14 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -143.56 142.13 30.97 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.251 1.42 . . . . 0.0 108.786 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.7 t-105 -152.57 149.54 28.59 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.0 m -120.17 133.22 55.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.113 0.565 . . . . 0.0 110.652 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.325 75.8 m-85 -83.53 62.74 6.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -174.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -141.53 156.73 45.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 CA--C 1.528 0.118 0 C-N-CA 122.798 0.439 . . . . 0.0 111.481 -177.032 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.287 39.0 t80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -145.67 134.03 21.85 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 123.145 0.578 . . . . 0.0 111.077 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.3 t -157.28 144.04 18.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.0 0.92 . . . . 0.0 109.199 172.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -70.42 167.16 18.84 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 121.384 0.611 . . . . 0.0 111.346 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.8 171.06 13.98 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.931 0.892 . . . . 0.0 111.062 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.5 129.31 46.44 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.554 0.742 . . . . 0.0 109.011 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 t -108.63 143.15 38.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 172.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 51.5 t -128.74 141.57 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.04 0.536 . . . . 0.0 109.723 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.57 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.5 m-85 -130.48 146.16 51.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.46 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.842 0.457 . . . . 0.0 111.324 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.4 142.36 48.32 Favored 'General case' 0 N--CA 1.458 -0.066 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.62 58.67 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.749 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 ttp . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.883 0.373 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -64.46 151.3 44.65 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.747 0.419 . . . . 0.0 110.769 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.0 1.85 35.5 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 119.832 -0.427 . . . . 0.0 112.404 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.4 t0 56.17 33.78 22.7 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.789 0.804 . . . . 0.0 112.408 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -155.1 167.65 29.64 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.449 0.7 . . . . 0.0 110.329 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -128.53 166.54 18.61 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.297 0.639 . . . . 0.0 109.4 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -56.75 126.06 25.17 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -171.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.46 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 92.2 0.77 70.34 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.416 -0.658 . . . . 0.0 113.358 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.88 149.5 31.34 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.36 -15.68 8.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.593 0.616 . . . . 0.0 112.853 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -82.68 114.79 21.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.254 1.027 . . . . 0.0 113.625 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 mt -136.15 151.12 49.43 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.71 0.404 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -148.29 148.23 30.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -130.36 126.37 36.95 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.9 p -156.87 156.98 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.636 . . . . 0.0 110.481 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.2 116.8 7.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -69.89 -16.43 63.23 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -173.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -152.9 123.65 7.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.32 0.509 . . . . 0.0 110.038 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.39 148.59 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.483 1.113 . . . . 0.0 108.238 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.43 140.48 41.31 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.16 155.17 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.056 0 C-N-CA 122.775 0.43 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -87.45 157.22 19.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.122 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.68 140.29 51.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.389 0.276 . . . . 0.0 111.103 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.39 3.84 64.66 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 119.013 -0.882 . . . . 0.0 114.469 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.52 174.6 10.8 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.202 1.501 . . . . 0.0 111.489 177.409 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -91.89 168.28 11.54 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -156.7 156.1 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 124.624 1.17 . . . . 0.0 108.961 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -120.53 141.98 49.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.326 0.65 . . . . 0.0 110.275 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -134.58 88.86 27.83 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 123.69 0.796 . . . . 0.0 111.044 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.23 143.23 43.37 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.857 2.372 . . . . 0.0 111.383 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.4 p -161.44 166.71 26.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.759 0.314 . . . . 0.0 111.658 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -153.84 166.43 32.94 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.284 0.634 . . . . 0.0 111.061 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -141.48 169.35 17.77 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.3 m -142.54 148.54 37.75 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.038 0.935 . . . . 0.0 109.872 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -152.19 155.98 33.56 Favored Pre-proline 0 N--CA 1.457 -0.112 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.78 157.45 61.17 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.025 2.484 . . . . 0.0 110.193 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.66 -1.32 41.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.198 0.599 . . . . 0.0 111.95 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.4 139.69 55.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 4.44 89.86 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.017 -0.879 . . . . 0.0 114.455 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.85 167.26 27.08 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.293 1.546 . . . . 0.0 112.228 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.56 166.51 21.24 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -62.65 -9.15 8.06 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.1 p -110.21 -3.07 16.5 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.763 0.425 . . . . 0.0 111.949 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.96 147.09 88.25 Favored Pre-proline 0 N--CA 1.453 -0.283 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.39 160.89 47.35 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.702 2.935 . . . . 0.0 110.203 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.24 146.09 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.72 0.408 . . . . 0.0 110.408 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -148.8 166.74 27.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.879 1.271 . . . . 0.0 110.088 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.97 159.49 27.41 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -151.77 169.36 22.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -134.63 146.35 49.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.741 1.216 . . . . 0.0 111.041 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 57' ' ' PRO . 94.1 m-85 -143.27 154.65 44.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.68 0.392 . . . . 0.0 110.537 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -73.87 153.42 39.88 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.72 133.31 55.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.297 -0.877 . . . . 0.0 109.492 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.02 -0.27 88.76 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 123.15 0.405 . . . . 0.0 112.754 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -77.07 172.98 12.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -130.2 97.9 21.97 Favored Pre-proline 0 CA--C 1.531 0.248 0 C-N-CA 123.286 0.634 . . . . 0.0 109.797 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HA ' ' CE1' ' A' ' 51' ' ' PHE . 74.7 Cg_exo -56.47 -18.0 23.75 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 124.771 3.647 . . . . 0.0 115.853 -171.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.308 13.7 p90 -106.09 5.02 29.8 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -134.25 -1.41 2.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.636 0.374 . . . . 0.0 111.258 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -141.83 159.91 41.27 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.12 147.81 80.44 Favored Pre-proline 0 N--CA 1.454 -0.253 0 O-C-N 122.291 -0.255 . . . . 0.0 110.467 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -71.72 158.34 53.52 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.724 2.949 . . . . 0.0 110.367 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.9 -16.83 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.38 150.91 14.78 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.991 0.916 . . . . 0.0 109.355 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.0 t -161.44 165.27 29.02 Favored 'General case' 0 C--O 1.228 -0.064 0 C-N-CA 122.679 0.392 . . . . 0.0 111.98 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -116.86 -2.33 11.84 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.39 0.676 . . . . 0.0 110.725 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -78.1 122.09 84.87 Favored Pre-proline 0 N--CA 1.451 -0.397 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.05 -17.01 36.53 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.983 2.455 . . . . 0.0 111.906 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -90.22 -11.6 40.5 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -105.47 135.95 45.92 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 122.888 0.475 . . . . 0.0 110.151 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -88.27 -178.75 5.99 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.077 0.551 . . . . 0.0 110.179 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.32 167.45 24.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.411 0.684 . . . . 0.0 111.985 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -58.94 146.44 37.83 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.071 0.548 . . . . 0.0 111.138 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.32 -20.89 64.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.226 -0.297 . . . . 0.0 111.614 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -86.28 -10.47 54.48 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.957 0.344 . . . . 0.0 111.038 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.4 p -117.19 -5.35 11.36 Favored 'General case' 0 C--N 1.342 0.255 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -59.35 129.97 44.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.555 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.91 3.66 69.01 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.018 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -125.13 -33.67 2.85 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.454 1.127 . . . . 0.0 112.44 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -91.63 141.22 28.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 174.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -157.25 149.6 22.92 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.11 0.164 . . . . 0.0 110.635 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.5 mt -101.78 144.63 30.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.6 mt -118.76 177.49 4.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.635 0.774 . . . . 0.0 110.206 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.08 -155.04 41.86 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -133.6 128.03 34.3 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -64.56 -30.17 49.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.987 0.515 . . . . 0.0 111.402 -177.368 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.12 -3.44 45.48 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.609 0.364 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -110.94 13.02 22.16 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.21 1.004 . . . . 0.0 109.709 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 60.73 23.72 13.6 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.837 1.255 . . . . 0.0 113.389 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -76.22 145.11 40.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.841 0.292 . . . . 0.0 111.635 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.8 p -126.88 10.79 7.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 123.217 0.607 . . . . 0.0 111.473 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -46.99 132.95 11.63 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.763 0.825 . . . . 0.0 111.823 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.3 tp -118.49 148.16 42.89 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.915 0.886 . . . . 0.0 108.848 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 136.76 36.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.749 0.309 . . . . 0.0 110.463 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.78 132.15 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -114.04 141.72 47.08 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.1 t0 49.03 58.95 4.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.43 148.5 27.9 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 111.731 -174.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -136.95 165.47 25.91 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.424 0.69 . . . . 0.0 109.649 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -61.45 -18.27 58.19 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -77.24 -14.61 59.73 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -78.98 -15.36 58.38 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.7 tttt -65.92 131.08 45.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.18 -150.58 22.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 m -139.81 153.06 47.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.075 0.55 . . . . 0.0 110.611 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -147.09 165.41 30.02 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.11 156.8 45.92 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -92.14 154.59 18.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -133.46 133.91 42.88 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.616 0.367 . . . . 0.0 110.895 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.8 tp -106.43 146.38 30.59 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.408 1.083 . . . . 0.0 110.19 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -150.46 120.8 7.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -152.5 130.64 11.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.926 0.891 . . . . 0.0 109.292 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.43 47.48 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -82.19 -7.77 59.63 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.914 0.357 . . . . 0.0 111.536 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -91.58 142.84 27.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.295 0.638 . . . . 0.0 111.985 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -153.74 147.52 25.33 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.531 0.733 . . . . 0.0 109.572 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.46 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 66.0 t-105 -150.75 143.73 24.68 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.499 0.19 . . . . 0.0 111.49 -174.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -107.1 129.91 54.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.063 0.545 . . . . 0.0 110.217 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.278 78.9 m-85 -82.78 61.68 5.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -141.63 165.14 28.32 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.982 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.8 p -62.61 150.47 40.61 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.069 0.548 . . . . 0.0 112.006 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -146.33 -167.12 2.65 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.095 0.958 . . . . 0.0 110.678 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.838 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.4 mm? -61.13 -34.71 75.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.885 0.874 . . . . 0.0 112.445 -173.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -136.06 4.82 3.01 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 123.245 0.618 . . . . 0.0 110.969 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.274 16.4 t80 -123.88 148.49 46.77 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.12 143.74 29.54 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-O 120.659 0.266 . . . . 0.0 111.219 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.6 t -158.76 162.23 37.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.664 0.786 . . . . 0.0 110.491 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.07 171.22 15.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.043 0.537 . . . . 0.0 110.824 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -139.77 165.8 26.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.904 0.882 . . . . 0.0 110.48 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.6 tp -100.49 128.66 46.49 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 t -107.6 143.13 36.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.55 141.25 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.935 0.494 . . . . 0.0 109.729 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.4 m-85 -129.28 147.35 51.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.04 143.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.938 0.495 . . . . 0.0 111.317 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.04 142.31 46.34 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.71 58.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 111.015 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.39 112.7 7.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -155.38 -1.38 0.15 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 116.647 2.092 . . . . 0.0 116.647 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -151.01 0.94 0.41 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 163.0 -168.7 37.91 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.8 p -154.3 152.72 30.6 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.991 0.517 . . . . 0.0 110.277 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 tt -84.25 -54.09 5.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.16 0.184 . . . . 0.0 111.08 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 44.74 85.47 0.17 Allowed Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.37 162.84 40.94 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.416 2.744 . . . . 0.0 110.905 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 13.0 ptm85 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 117.529 -1.224 . . . . 0.0 110.536 -179.486 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 110.775 -0.083 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -74.07 151.44 40.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.58 0.228 . . . . 0.0 110.734 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.82 -7.03 22.89 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.76 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -83.97 -0.83 53.12 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.61 0.705 . . . . 0.0 112.538 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.5 ptp85 -86.24 -177.58 6.28 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.591 0.756 . . . . 0.0 110.415 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -144.56 166.37 25.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 42.8 t80 -52.85 136.62 33.79 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 -174.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 83.41 3.51 89.89 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-O 119.705 -0.497 . . . . 0.0 112.868 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -56.52 141.39 42.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.371 1.085 . . . . 0.0 113.664 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.78 -15.7 40.88 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.085 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -84.27 117.06 23.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.167 0.984 . . . . 0.0 112.93 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -137.64 151.6 48.46 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.005 0.366 . . . . 0.0 110.903 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.37 147.65 29.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -129.57 126.88 39.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.952 0.501 . . . . 0.0 109.714 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -156.8 156.79 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -66.05 117.34 8.25 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -67.41 -18.7 65.21 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.47 124.55 7.41 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.271 0.487 . . . . 0.0 110.248 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -120.79 149.81 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 124.531 1.133 . . . . 0.0 108.254 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.74 140.83 40.9 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -153.08 156.05 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.991 0.516 . . . . 0.0 111.299 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -89.5 156.76 18.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.953 -0.467 . . . . 0.0 110.246 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -69.12 142.09 54.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.376 -0.202 . . . . 0.0 110.727 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.92 3.77 65.61 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.842 -0.976 . . . . 0.0 114.937 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -147.35 173.94 12.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.292 1.546 . . . . 0.0 111.716 178.483 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -91.94 168.14 11.62 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.56 155.88 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.756 1.222 . . . . 0.0 108.894 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.46 141.71 48.9 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 110.317 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.51 87.65 26.33 Favored Pre-proline 0 CA--C 1.53 0.19 0 C-N-CA 124.079 0.951 . . . . 0.0 111.007 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.46 143.19 46.76 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.113 2.542 . . . . 0.0 111.255 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.5 p -161.79 167.0 25.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 111.522 178.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -153.84 169.21 23.94 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 122.923 0.489 . . . . 0.0 111.245 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -139.4 172.52 12.69 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -147.77 148.64 31.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.832 0.853 . . . . 0.0 110.256 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -154.36 156.24 31.54 Favored Pre-proline 0 CA--C 1.529 0.137 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -67.28 158.2 58.11 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.318 2.679 . . . . 0.0 110.195 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -80.13 -1.92 42.31 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.83 132.23 46.44 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.27 75.6 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.231 -0.761 . . . . 0.0 114.343 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.3 p-90 -150.5 167.03 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.783 1.292 . . . . 0.0 112.512 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 167.37 18.97 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.57 -11.42 16.5 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -103.76 -6.08 21.84 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.091 0.557 . . . . 0.0 112.327 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -75.41 145.78 80.05 Favored Pre-proline 0 N--CA 1.453 -0.3 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -71.35 159.88 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.84 3.026 . . . . 0.0 110.047 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.36 144.48 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 122.686 0.394 . . . . 0.0 110.249 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -148.98 165.39 31.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.733 1.213 . . . . 0.0 109.906 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.85 160.48 26.64 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -150.04 167.86 25.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -135.01 146.51 49.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.755 1.222 . . . . 0.0 111.415 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -144.5 152.22 40.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.694 0.398 . . . . 0.0 111.033 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -73.49 146.11 45.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.38 135.92 53.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.3 -10.46 74.22 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.632 0.634 . . . . 0.0 112.688 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -71.29 166.33 21.8 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -128.35 106.62 19.4 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 123.842 0.857 . . . . 0.0 109.098 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.18 -20.74 32.5 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 124.017 3.145 . . . . 0.0 114.429 -175.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.252 12.6 p90 -79.17 -7.42 58.2 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -134.6 -31.18 1.07 Allowed 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 122.45 0.3 . . . . 0.0 111.19 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -85.32 154.73 21.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.24 143.72 42.67 Favored Pre-proline 0 N--CA 1.451 -0.395 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.45 155.89 59.14 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.933 2.422 . . . . 0.0 110.252 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 m -82.46 -17.49 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 O-C-N 122.274 -0.266 . . . . 0.0 111.02 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.51 152.91 12.57 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.331 1.052 . . . . 0.0 109.137 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 t -160.74 155.82 24.4 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.352 0.524 . . . . 0.0 111.822 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -89.14 -16.43 31.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.021 0.529 . . . . 0.0 110.618 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -78.1 119.77 78.62 Favored Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.56 -19.04 28.71 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.272 2.648 . . . . 0.0 112.072 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -85.73 -14.91 43.88 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -100.99 130.37 46.97 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 123.207 0.603 . . . . 0.0 109.679 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -82.95 -179.69 7.52 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.33 172.24 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.048 0.539 . . . . 0.0 111.943 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -58.68 144.98 41.64 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.574 0.35 . . . . 0.0 111.048 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.96 -23.62 65.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.414 0.286 . . . . 0.0 111.728 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.87 -14.61 53.93 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.12 0.418 . . . . 0.0 111.18 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -110.41 -0.3 17.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -60.78 125.06 22.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 1.73 60.38 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.281 -0.733 . . . . 0.0 113.671 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -118.18 -28.58 5.79 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.55 1.175 . . . . 0.0 112.218 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.447 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -96.18 141.26 29.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.36 148.5 23.24 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.41 143.55 32.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.6 mt -116.47 177.42 4.7 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.743 0.817 . . . . 0.0 110.008 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.69 -149.23 36.29 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -142.62 128.88 19.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -23.65 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 O-C-N 122.166 -0.334 . . . . 0.0 111.713 -176.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -79.09 -8.89 59.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.659 0.384 . . . . 0.0 110.687 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -105.01 12.39 32.33 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.101 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 60.1 23.9 13.15 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.449 1.099 . . . . 0.0 113.424 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -83.75 146.56 28.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.1 p -128.43 10.48 6.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.473 0.709 . . . . 0.0 111.79 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.6 m -45.28 130.7 8.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.08 0.952 . . . . 0.0 111.918 -171.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.9 tp -114.56 148.4 38.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.978 0.911 . . . . 0.0 109.128 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -139.02 136.07 34.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.74 133.58 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -115.89 140.6 49.07 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.9 t0 48.74 60.05 3.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.86 148.67 33.93 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.56 0.344 . . . . 0.0 111.679 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -139.7 164.0 31.09 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.79 0.836 . . . . 0.0 109.227 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -60.25 -15.26 23.15 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.47 -14.3 59.43 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 122.653 0.381 . . . . 0.0 111.897 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -80.55 -15.63 56.19 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.617 ' HE2' ' CD2' ' A' ' 133' ' ' PHE . 64.2 tttm -65.23 130.46 43.43 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.39 -151.48 23.05 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -139.25 152.26 47.15 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.701 0.8 . . . . 0.0 110.408 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -146.62 164.39 32.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -141.18 158.63 43.65 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -96.05 154.69 17.11 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -132.07 133.49 44.41 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 122.681 0.392 . . . . 0.0 110.928 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 tp -104.55 144.99 30.93 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.938 0.895 . . . . 0.0 110.568 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.52 120.37 7.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 122.914 0.486 . . . . 0.0 109.837 173.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -153.97 131.05 11.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.06 -138.86 47.03 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -82.71 -4.88 58.49 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.469 0.308 . . . . 0.0 111.38 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.6 ttp -88.89 138.85 31.03 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.537 0.735 . . . . 0.0 111.969 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.31 144.8 31.64 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 173.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.419 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.3 t-105 -156.42 146.36 21.14 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 117.691 0.223 . . . . 0.0 110.692 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -115.28 129.05 56.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.701 0.4 . . . . 0.0 109.97 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.287 81.1 m-85 -80.08 59.57 3.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -136.53 157.93 45.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.682 0.793 . . . . 0.0 109.583 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 97.6 p -63.24 153.06 35.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.773 0.321 . . . . 0.0 111.239 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -145.34 -166.65 2.48 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.038 0.935 . . . . 0.0 109.985 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.814 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.7 mm? -55.93 -28.64 57.82 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.566 0.746 . . . . 0.0 112.267 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -141.3 -30.44 0.61 Allowed 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 122.959 0.503 . . . . 0.0 110.745 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -74.65 145.86 42.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.2 142.73 28.7 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 122.42 0.288 . . . . 0.0 110.566 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -157.68 161.7 38.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.243 0.617 . . . . 0.0 110.555 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -75.72 170.66 15.76 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.17 0.509 . . . . 0.0 110.552 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -139.18 165.74 26.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.129 0.972 . . . . 0.0 110.539 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.2 tp -100.69 120.58 40.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.7 t -98.93 142.83 29.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.6 t -128.02 140.4 49.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 122.919 0.488 . . . . 0.0 109.737 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.617 ' CD2' ' HE2' ' A' ' 103' ' ' LYS . 30.2 m-85 -128.38 149.76 50.39 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 115.686 1.735 . . . . 0.0 115.686 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.2 143.12 37.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 122.896 0.479 . . . . 0.0 111.66 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.7 m -133.06 141.69 48.36 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.24 141.52 58.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.94 118.26 10.91 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -149.74 2.54 0.53 Allowed 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -150.46 30.26 0.68 Allowed 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 122.711 0.405 . . . . 0.0 111.313 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 90.34 160.27 36.36 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 79.7 p -73.86 151.48 40.48 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.506 0.722 . . . . 0.0 111.783 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 tt -83.07 -49.1 9.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.004 0.522 . . . . 0.0 110.482 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 144' ' ' PRO . 2.6 t 59.56 134.22 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.353 0 C-N-CA 125.816 1.646 . . . . 0.0 115.364 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 143' ' ' VAL . 59.0 Cg_exo -55.15 153.22 27.44 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 123.348 2.698 . . . . 0.0 112.352 175.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.175 -176.182 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -70.96 155.96 40.19 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 120.736 0.303 . . . . 0.0 111.106 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.29 3.31 73.0 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 123.492 0.568 . . . . 0.0 112.121 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -155.86 116.92 3.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.823 0.849 . . . . 0.0 111.094 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -155.67 165.58 36.12 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.486 0.715 . . . . 0.0 110.172 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -96.43 166.06 11.88 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.252 39.4 t80 -59.0 128.74 38.76 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -173.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.26 3.23 89.73 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 119.359 -0.69 . . . . 0.0 113.455 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -67.15 152.32 45.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.901 1.35 . . . . 0.0 107.984 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.23 -15.74 37.67 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 123.832 0.73 . . . . 0.0 112.797 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -84.72 118.56 24.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.143 0.972 . . . . 0.0 112.66 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 mt -136.02 150.41 49.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 122.382 0.273 . . . . 0.0 110.534 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -148.42 147.71 29.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.443 0.297 . . . . 0.0 110.285 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -131.4 128.74 40.2 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.452 0.701 . . . . 0.0 109.316 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -160.0 156.72 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.591 0.756 . . . . 0.0 110.701 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.94 119.05 9.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.06 -18.31 62.57 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -152.02 123.78 7.95 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.177 0.444 . . . . 0.0 109.992 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -119.43 148.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.313 1.045 . . . . 0.0 108.218 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.24 141.13 42.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.98 153.39 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.593 0.357 . . . . 0.0 111.96 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -84.44 156.94 21.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -72.85 142.51 47.97 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.451 0.3 . . . . 0.0 110.905 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.0 6.36 65.23 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.09 -0.839 . . . . 0.0 114.737 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.74 171.1 14.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.006 1.403 . . . . 0.0 111.55 176.602 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -92.57 166.09 12.68 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.824 0.85 . . . . 0.0 113.197 -170.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.7 155.26 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.376 1.07 . . . . 0.0 109.747 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -117.08 140.22 49.76 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.978 0.911 . . . . 0.0 110.102 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.94 90.62 31.22 Favored Pre-proline 0 N--CA 1.456 -0.161 0 C-N-CA 124.525 1.13 . . . . 0.0 111.166 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.75 147.16 85.39 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.306 2.671 . . . . 0.0 111.492 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.6 t -156.97 148.35 22.21 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.564 0.746 . . . . 0.0 110.468 -176.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.3 p -151.44 162.0 41.72 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.225 0.61 . . . . 0.0 110.115 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -148.68 174.43 12.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -146.63 150.78 36.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.731 0.813 . . . . 0.0 109.94 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.39 154.52 32.09 Favored Pre-proline 0 CA--C 1.53 0.19 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.78 155.62 69.72 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.059 2.506 . . . . 0.0 110.166 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.463 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -78.09 1.82 19.89 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.159 0.583 . . . . 0.0 112.415 -176.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.77 128.29 35.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.96 7.47 80.73 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.904 -0.942 . . . . 0.0 114.341 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.8 p-90 -151.29 168.49 24.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.182 1.491 . . . . 0.0 112.96 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 167.62 18.21 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -63.23 -4.46 2.51 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -120.87 -1.63 9.89 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 122.962 0.505 . . . . 0.0 112.074 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 92.0 m-20 -72.09 143.79 86.66 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 48.6 Cg_exo -58.79 156.01 34.97 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.471 2.781 . . . . 0.0 111.63 175.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.99 145.04 20.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 122.714 0.406 . . . . 0.0 110.368 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -149.39 165.22 32.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.803 0.841 . . . . 0.0 110.763 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.04 157.73 26.53 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -151.26 171.27 17.7 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -138.59 146.44 41.8 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.568 1.147 . . . . 0.0 111.407 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -143.23 152.31 41.57 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.782 0.433 . . . . 0.0 111.036 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -70.54 145.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.72 133.37 55.3 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.99 -7.28 78.98 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-O 119.612 -0.549 . . . . 0.0 113.02 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -72.31 166.78 21.79 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -117.39 109.07 42.56 Favored Pre-proline 0 C--O 1.231 0.127 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.86 -15.42 16.76 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.364 2.709 . . . . 0.0 112.991 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -97.29 -5.11 37.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -130.76 -12.77 3.76 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.334 0.254 . . . . 0.0 111.572 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -122.58 156.04 35.05 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.361 0.664 . . . . 0.0 110.1 -174.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.38 147.93 57.8 Favored Pre-proline 0 N--CA 1.452 -0.367 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.36 154.59 65.22 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.115 2.544 . . . . 0.0 110.403 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.47 -16.51 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 O-C-N 122.23 -0.294 . . . . 0.0 111.662 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.13 148.62 11.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.978 0.911 . . . . 0.0 109.812 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -162.11 158.39 24.7 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 122.395 0.278 . . . . 0.0 111.097 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -106.53 -1.15 23.32 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -70.15 135.06 87.12 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.9 -18.25 19.14 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.709 2.939 . . . . 0.0 113.222 -174.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -110.52 -23.67 10.99 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -79.22 131.4 36.17 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -82.17 -178.56 7.07 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 123.131 0.572 . . . . 0.0 110.668 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.29 167.83 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 123.642 0.777 . . . . 0.0 111.642 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.19 146.76 37.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.798 0.439 . . . . 0.0 111.155 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -20.89 64.07 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -86.39 -7.22 58.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.836 0.289 . . . . 0.0 111.669 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.458 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -120.78 -5.96 9.64 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -59.04 132.25 53.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.709 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.37 1.68 71.02 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.191 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -126.37 -35.08 2.42 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.699 1.25 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.458 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -84.65 140.37 31.38 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -156.84 146.57 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.263 0.225 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.0 mt -97.36 145.28 26.29 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.82 173.78 6.45 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.28 0.632 . . . . 0.0 110.199 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.83 -154.57 37.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -132.64 131.25 41.17 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 pt -65.92 -28.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 123.149 0.579 . . . . 0.0 111.39 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -80.18 -9.13 59.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.109 0.163 . . . . 0.0 111.238 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t -102.31 10.76 38.94 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.27 1.028 . . . . 0.0 110.263 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 59.31 30.74 20.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.183 0.993 . . . . 0.0 112.473 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -82.04 145.07 30.41 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.436 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.0 p -131.43 15.64 4.98 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.351 0.66 . . . . 0.0 110.844 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.7 m -54.12 141.29 29.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.343 0.657 . . . . 0.0 111.165 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.4 tp -126.34 148.57 49.54 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.012 0.925 . . . . 0.0 108.936 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -138.99 138.95 37.72 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.42 124.75 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -101.33 139.12 37.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 45.5 59.74 3.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.05 14.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -134.63 166.05 23.81 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.936 0.894 . . . . 0.0 109.616 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -60.82 -17.97 52.88 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -74.67 -15.26 60.81 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.223 0.609 . . . . 0.0 111.963 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -82.81 -12.93 57.09 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.47 131.47 45.74 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.4 -155.29 26.05 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -136.6 151.91 49.87 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.949 0.499 . . . . 0.0 110.318 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -148.21 165.31 31.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -140.39 156.56 46.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.292 0.637 . . . . 0.0 111.05 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -88.29 154.62 20.27 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -138.89 148.06 43.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.084 -0.385 . . . . 0.0 110.728 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.74 143.37 50.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.805 0.842 . . . . 0.0 111.916 -170.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -140.8 129.99 23.55 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.693 0.797 . . . . 0.0 109.511 169.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -154.34 129.6 9.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.44 47.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 t -79.11 -12.42 60.0 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.722 -0.281 . . . . 0.0 110.915 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -86.66 143.08 27.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.336 0.654 . . . . 0.0 112.457 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 144.63 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.298 1.039 . . . . 0.0 108.618 173.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -153.77 159.66 42.0 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.098 0.159 . . . . 0.0 110.573 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.6 t -133.53 134.81 43.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.248 0.619 . . . . 0.0 110.031 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.29 79.8 m-85 -85.31 61.59 6.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -136.62 163.7 29.94 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.497 0.719 . . . . 0.0 110.123 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p -62.97 150.39 42.38 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.574 0.35 . . . . 0.0 110.979 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -146.79 -167.31 2.73 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.193 0.997 . . . . 0.0 110.15 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.823 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.5 mm? -62.8 -32.35 73.51 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.729 0.812 . . . . 0.0 112.217 -172.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -136.86 3.68 2.72 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.097 0.559 . . . . 0.0 110.718 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 19.0 t80 -123.41 147.99 46.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -174.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -146.22 144.38 29.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.766 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.8 t -158.62 160.68 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.959 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.15 171.1 15.08 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.949 0.499 . . . . 0.0 111.054 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -138.71 163.7 31.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.67 0.788 . . . . 0.0 110.31 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.52 133.73 44.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.68 143.21 44.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.0 t -127.52 140.31 49.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 C-N-CA 122.91 0.484 . . . . 0.0 109.789 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.7 m-85 -129.25 146.08 51.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.68 143.19 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 122.775 0.43 . . . . 0.0 111.483 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -133.01 141.08 48.09 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.48 140.82 58.91 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.479 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.63 122.19 19.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -145.3 -19.13 0.48 Allowed 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -161.97 139.44 8.61 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.612 0.765 . . . . 0.0 109.587 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 61.45 -173.01 7.22 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.164 0.411 . . . . 0.0 112.941 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 88.2 p -160.59 153.16 20.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.094 0.958 . . . . 0.0 109.51 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 tt -81.54 -51.99 7.68 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 119.445 -0.312 . . . . 0.0 111.406 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.7 t 60.05 132.8 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.508 1.523 . . . . 0.0 114.919 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -66.53 153.22 78.81 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.922 2.414 . . . . 0.0 110.293 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.215 -1.374 . . . . 0.0 110.177 -174.335 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 ttp . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 110.841 -0.059 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -68.32 154.03 42.58 Favored 'General case' 0 N--CA 1.457 -0.086 0 CA-C-O 120.936 0.398 . . . . 0.0 111.106 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.02 -4.57 78.15 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -72.3 -4.82 31.99 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -155.75 171.11 20.57 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.308 0.643 . . . . 0.0 110.138 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -133.52 166.46 22.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -52.6 124.14 12.94 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -171.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 91.53 -0.55 74.44 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.548 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.07 149.27 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.21 -15.5 6.78 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.63 0.633 . . . . 0.0 112.971 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -83.72 121.72 27.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.054 0.927 . . . . 0.0 112.458 176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -140.0 158.47 44.01 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.767 0.427 . . . . 0.0 110.324 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.6 145.71 32.72 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.063 0.545 . . . . 0.0 109.693 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -131.42 115.92 16.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -155.82 154.3 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.171 0.588 . . . . 0.0 110.955 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.1 118.78 11.71 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.73 -19.57 65.16 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -153.79 124.97 7.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.236 0.471 . . . . 0.0 110.042 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.6 t -120.74 149.92 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.309 1.043 . . . . 0.0 108.309 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.55 139.92 40.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 177.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.1 153.54 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.796 0.438 . . . . 0.0 111.881 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -84.75 158.21 20.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.018 0.437 . . . . 0.0 109.92 174.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -73.86 140.13 45.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.508 0.323 . . . . 0.0 110.929 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.85 6.24 63.76 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 119.011 -0.883 . . . . 0.0 114.688 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.67 175.19 10.56 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.988 1.394 . . . . 0.0 111.853 178.144 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.6 m -92.72 165.43 12.95 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.84 155.71 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.389 1.076 . . . . 0.0 109.108 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -118.55 140.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.58 0.752 . . . . 0.0 110.047 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.1 89.55 28.39 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 123.818 0.847 . . . . 0.0 110.461 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.29 142.96 46.9 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.174 2.583 . . . . 0.0 111.244 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -161.45 166.78 26.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.038 0.446 . . . . 0.0 111.327 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -152.2 171.06 18.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.138 0.575 . . . . 0.0 110.977 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -140.49 170.35 15.96 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -147.34 150.16 34.21 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.098 0.559 . . . . 0.0 109.855 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -154.09 156.03 31.57 Favored Pre-proline 0 CA--C 1.529 0.16 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -174.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.54 158.63 56.89 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.122 2.548 . . . . 0.0 110.016 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.456 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -79.1 -1.11 34.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.249 0.62 . . . . 0.0 111.952 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.87 129.21 38.91 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.75 4.56 69.69 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 119.071 -0.85 . . . . 0.0 114.214 174.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.68 166.57 30.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.99 1.395 . . . . 0.0 112.419 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.13 167.66 18.76 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -62.97 -12.18 23.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -99.87 -6.28 27.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.99 0.516 . . . . 0.0 112.219 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.35 146.26 73.82 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.44 161.74 43.4 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.801 3.001 . . . . 0.0 110.024 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -144.99 144.97 21.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.929 0.395 . . . . 0.0 110.442 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -148.93 165.27 32.08 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.773 1.229 . . . . 0.0 110.038 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.66 158.85 27.17 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -150.02 172.01 15.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -136.37 146.42 46.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.303 1.041 . . . . 0.0 111.533 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.72 148.74 37.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -75.93 137.57 40.44 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 134.96 57.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.28 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.7 -2.73 87.81 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.031 -0.872 . . . . 0.0 113.914 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -84.36 -169.39 2.59 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.301 1.55 . . . . 0.0 107.733 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -131.5 99.81 16.98 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.204 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.37 -19.17 34.17 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 124.093 3.196 . . . . 0.0 113.725 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.258 14.2 p90 -77.77 -6.01 52.62 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -134.39 -30.89 1.12 Allowed 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.428 0.291 . . . . 0.0 110.667 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -89.05 155.27 19.57 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.04 150.72 75.18 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -71.91 153.58 58.33 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 122.941 2.427 . . . . 0.0 109.932 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.94 -16.33 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.28 15.51 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.021 0.929 . . . . 0.0 109.485 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -161.79 164.66 28.74 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.587 0.355 . . . . 0.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -115.24 -2.04 12.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.536 0.735 . . . . 0.0 111.084 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -75.27 122.15 86.71 Favored Pre-proline 0 N--CA 1.449 -0.49 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.12 -17.96 35.61 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.345 2.697 . . . . 0.0 112.084 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -93.88 -11.57 30.79 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -104.0 137.52 41.85 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.893 0.477 . . . . 0.0 110.492 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -90.95 -178.97 5.36 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.98 0.512 . . . . 0.0 109.934 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.53 172.84 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.392 0.677 . . . . 0.0 112.254 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.65 145.15 40.84 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.808 0.443 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -20.57 64.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -85.49 -11.82 53.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.851 0.296 . . . . 0.0 110.832 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.449 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -115.14 -0.15 13.39 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.86 128.01 34.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.79 2.06 56.03 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 119.535 -0.592 . . . . 0.0 113.288 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.2 mtm105 -119.26 -29.2 5.25 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.306 1.053 . . . . 0.0 112.157 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -97.8 140.3 32.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.57 151.2 25.73 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.143 0.177 . . . . 0.0 110.536 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.61 144.77 30.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.36 178.13 4.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.845 0.858 . . . . 0.0 110.098 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.65 -150.71 36.74 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -138.78 129.66 26.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -64.96 -30.52 50.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 122.72 0.408 . . . . 0.0 111.421 -177.42 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -79.56 -5.27 54.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.648 0.379 . . . . 0.0 111.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.3 t -106.11 12.75 29.92 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.217 1.007 . . . . 0.0 109.623 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 58.67 24.38 12.08 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.682 1.193 . . . . 0.0 112.971 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -83.22 144.54 29.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.1 p -127.69 11.05 6.68 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.172 0.589 . . . . 0.0 111.351 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -44.08 129.5 6.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.686 0.795 . . . . 0.0 111.763 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.4 tp -111.05 148.23 33.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.664 0.786 . . . . 0.0 109.112 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.8 t -137.85 136.22 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.39 133.8 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -115.99 140.79 48.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.5 t0 48.64 59.64 4.23 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 123.176 0.297 . . . . 0.0 110.277 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 147.9 30.48 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -136.53 163.75 29.78 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.592 0.757 . . . . 0.0 109.219 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -60.8 -18.04 52.99 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.4 tpp85 -73.43 -20.76 60.64 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.374 0.67 . . . . 0.0 111.605 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -75.84 -15.53 60.21 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.592 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.0 tttt -64.87 131.1 45.8 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.87 -149.77 21.28 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -141.62 153.47 44.78 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.075 0.55 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -147.31 166.88 25.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.4 155.92 45.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.209 0.604 . . . . 0.0 110.533 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -90.0 154.33 19.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -134.3 137.08 43.97 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 117.894 0.315 . . . . 0.0 110.946 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -110.01 145.48 36.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.772 0.829 . . . . 0.0 110.382 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.13 120.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.202 0.601 . . . . 0.0 109.617 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -153.99 130.09 10.34 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.5 0.72 . . . . 0.0 109.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.01 -138.79 47.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.2 t -80.84 -10.11 59.75 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.733 -0.275 . . . . 0.0 110.858 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 ttp -84.83 140.96 30.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.543 0.737 . . . . 0.0 111.997 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 146.12 32.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.527 1.131 . . . . 0.0 108.003 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.436 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 71.4 t-105 -154.35 149.35 26.78 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.782 0.264 . . . . 0.0 110.98 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -118.29 131.57 56.34 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.819 0.448 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.307 80.9 m-85 -85.69 60.8 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -141.19 164.21 30.88 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 123.518 0.727 . . . . 0.0 109.649 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.4 m -63.43 144.26 57.12 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.512 0.196 . . . . 0.0 110.976 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -145.47 -177.13 5.41 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.369 1.068 . . . . 0.0 110.703 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.642 HD23 ' H ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -51.72 -38.63 56.04 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -170.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -133.49 21.35 3.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.181 0.593 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -138.08 149.42 45.96 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -145.5 136.69 24.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.353 0.261 . . . . 0.0 110.698 -173.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.3 t -158.33 158.66 34.76 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -77.85 169.1 18.85 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.567 0.747 . . . . 0.0 111.108 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -136.92 169.63 17.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.986 0.915 . . . . 0.0 110.488 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.3 tp -100.54 129.01 46.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.5 t -108.33 143.16 37.59 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.6 t -127.48 140.03 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.592 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.3 m-85 -128.02 148.02 50.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.19 143.51 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 122.847 0.459 . . . . 0.0 112.009 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.33 141.87 45.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.82 141.74 58.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.53 124.28 22.79 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.8 t -147.49 -0.26 0.66 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -151.05 -11.65 0.22 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 151.64 162.99 11.14 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 118.686 0.676 . . . . 0.0 111.718 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.7 t -74.21 147.22 42.7 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 122.692 0.397 . . . . 0.0 111.494 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.3 tt -83.6 -42.58 16.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.267 0.627 . . . . 0.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.8 t 63.79 128.72 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.327 0 C-N-CA 125.449 1.5 . . . . 0.0 114.35 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.31 163.06 35.94 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.011 2.474 . . . . 0.0 111.926 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.157 -1.401 . . . . 0.0 110.776 178.155 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.707 0.289 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -68.85 154.35 42.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.049 0.54 . . . . 0.0 111.495 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.07 -1.94 78.56 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.923 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -76.7 13.61 0.98 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -157.73 175.62 13.66 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.957 0.903 . . . . 0.0 109.632 -174.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -90.98 161.69 15.05 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -58.83 132.97 55.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -173.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.53 3.66 86.7 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.415 -0.658 . . . . 0.0 113.595 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.16 148.34 41.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.953 1.376 . . . . 0.0 111.117 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.18 -15.35 39.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.39 -0.672 . . . . 0.0 112.908 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -85.24 119.86 26.08 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.614 1.207 . . . . 0.0 112.532 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.3 mt -138.88 152.07 47.48 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 117.847 0.294 . . . . 0.0 111.038 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -148.55 147.23 28.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.5 125.23 35.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.744 0.418 . . . . 0.0 110.267 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 31' ' ' CYS . 9.0 p -159.68 162.3 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.427 1.091 . . . . 0.0 110.169 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -62.46 125.88 25.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.01 -14.64 62.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.322 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 tp -152.03 135.66 16.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.159 0.584 . . . . 0.0 110.339 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.6 t -130.91 146.77 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.73 141.77 43.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 177.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -155.02 153.94 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 123.299 0.64 . . . . 0.0 111.089 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -85.83 157.94 20.09 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.017 0.437 . . . . 0.0 110.034 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -72.22 143.06 48.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.025 -0.422 . . . . 0.0 110.92 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.5 5.39 67.08 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-O 119.07 -0.85 . . . . 0.0 114.313 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.84 171.99 13.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.942 1.371 . . . . 0.0 111.189 176.35 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -94.09 166.29 12.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -170.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.52 157.85 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.919 0.888 . . . . 0.0 109.183 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.24 141.07 51.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.623 0.769 . . . . 0.0 110.112 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -133.17 89.27 33.72 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 123.927 0.891 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.13 143.47 44.37 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.081 2.521 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.4 p -161.66 166.61 26.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.8 t -153.74 165.25 36.6 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.935 0.494 . . . . 0.0 110.85 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.44 170.14 16.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 t -144.81 149.3 35.21 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.254 0.621 . . . . 0.0 110.446 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -155.15 155.9 30.56 Favored Pre-proline 0 CA--C 1.529 0.172 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -67.2 159.3 52.81 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.365 2.71 . . . . 0.0 110.284 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.3 tt0 -80.92 -0.89 41.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.33 132.74 46.89 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.79 2.37 78.7 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.123 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -148.03 165.38 30.95 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.735 1.268 . . . . 0.0 112.326 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.21 167.63 17.36 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.47 -10.35 17.11 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.9 p -110.02 -2.33 17.12 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.51 146.73 86.53 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.84 160.88 47.96 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.797 2.998 . . . . 0.0 110.286 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 144.51 20.96 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 122.746 0.418 . . . . 0.0 110.541 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.17 166.92 27.38 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.484 1.114 . . . . 0.0 110.002 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.58 157.95 27.16 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -151.73 171.71 17.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -136.79 149.46 47.79 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.352 1.061 . . . . 0.0 111.525 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -144.66 154.03 42.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.79 0.436 . . . . 0.0 110.578 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -75.27 148.75 39.15 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.73 136.47 58.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.769 -0.582 . . . . 0.0 109.539 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.39 -8.93 59.92 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.077 0.37 . . . . 0.0 112.308 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.03 134.23 35.37 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.01 0.924 . . . . 0.0 113.355 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -74.78 126.27 88.61 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.01 4.77 4.97 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.635 2.89 . . . . 0.0 113.811 -174.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.323 5.0 p90 -139.94 16.44 2.47 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -129.44 3.66 5.1 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 122.583 0.353 . . . . 0.0 111.755 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -158.24 167.43 29.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.79 149.13 98.0 Favored Pre-proline 0 N--CA 1.455 -0.214 0 C-N-CA 123.106 0.562 . . . . 0.0 111.141 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.71 160.11 49.0 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.828 3.019 . . . . 0.0 110.16 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -81.98 -17.39 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 154.25 17.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.729 0.811 . . . . 0.0 109.208 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -162.83 165.37 25.39 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.69 0.281 . . . . 0.0 111.343 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -117.38 -1.39 11.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.343 0.657 . . . . 0.0 110.898 175.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -72.7 124.94 91.36 Favored Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.33 -18.69 38.89 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 123.422 2.748 . . . . 0.0 112.529 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -98.92 -14.92 19.35 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -84.81 149.91 25.4 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.304 0.642 . . . . 0.0 111.014 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -109.63 179.59 4.09 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.441 0.696 . . . . 0.0 109.755 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.87 173.65 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -58.72 146.73 35.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.454 0.702 . . . . 0.0 111.481 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.2 65.3 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -86.05 -9.38 56.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.986 0.357 . . . . 0.0 111.376 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -116.27 -1.43 12.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -60.93 130.87 48.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.757 0.423 . . . . 0.0 109.923 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.67 1.96 54.93 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.049 -0.862 . . . . 0.0 113.341 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -120.55 -37.02 3.08 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.995 1.397 . . . . 0.0 111.854 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -84.2 138.94 32.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -157.1 149.93 23.55 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -101.98 144.79 30.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.2 mt -118.63 179.06 4.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.99 0.916 . . . . 0.0 110.366 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.12 -149.64 34.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -138.96 128.39 24.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.33 -30.06 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.888 0.475 . . . . 0.0 111.338 -177.257 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.07 -2.35 40.06 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 122.694 0.398 . . . . 0.0 110.736 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -111.91 12.9 20.84 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.542 1.137 . . . . 0.0 109.619 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 60.11 24.47 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.608 1.163 . . . . 0.0 113.558 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.52 142.45 34.16 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -123.06 10.28 9.4 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.34 0.656 . . . . 0.0 111.231 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.5 m -44.6 129.61 6.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.958 0.903 . . . . 0.0 111.821 -172.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.1 tp -114.38 147.59 38.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.181 0.992 . . . . 0.0 108.854 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -137.4 136.57 37.97 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 110.086 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -107.28 124.7 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -102.29 140.56 36.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 45.56 58.67 4.08 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 148.29 17.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -133.99 166.07 23.56 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.128 0.971 . . . . 0.0 109.642 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -61.36 -18.92 60.98 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -74.08 -15.37 61.06 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -80.63 -13.73 58.79 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.66 0.384 . . . . 0.0 111.52 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.589 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -68.62 134.74 50.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.35 -150.15 22.29 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -140.62 152.37 45.37 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 123.119 0.568 . . . . 0.0 110.332 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -146.59 165.25 30.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.89 157.9 44.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -93.8 154.42 17.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -129.65 132.56 46.73 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 122.704 0.402 . . . . 0.0 110.338 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -103.02 144.34 31.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -148.33 118.88 7.43 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -153.79 130.82 11.02 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 123.537 0.735 . . . . 0.0 109.209 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.79 -138.14 48.8 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.6 p -85.21 -6.37 59.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.089 0.445 . . . . 0.0 110.925 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.3 ttp -86.09 135.99 33.4 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 111.58 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -142.4 143.59 32.74 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.816 1.247 . . . . 0.0 108.862 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -154.9 151.28 28.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 122.371 -0.206 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -120.78 129.2 53.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.073 0.549 . . . . 0.0 110.324 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.28 77.3 m-85 -81.57 62.45 5.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.17 162.03 36.66 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.242 0.617 . . . . 0.0 109.795 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.6 p -63.84 150.95 43.66 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.681 0.392 . . . . 0.0 111.895 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -145.5 -166.79 2.52 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.99 0.916 . . . . 0.0 110.184 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 123' ' ' LEU . 2.2 pt? -51.86 -35.31 44.42 Favored 'General case' 0 C--N 1.339 0.144 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -175.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -137.22 -18.74 1.29 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.765 0.426 . . . . 0.0 111.937 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -84.13 148.06 27.0 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -146.38 139.73 25.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.75 0.25 . . . . 0.0 110.884 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.5 t -159.57 162.87 35.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.742 0.817 . . . . 0.0 110.672 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -77.37 171.51 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.032 0.533 . . . . 0.0 110.98 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.03 163.34 32.67 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.088 0.955 . . . . 0.0 110.239 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 tp -100.56 119.53 38.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 t -97.71 142.84 29.01 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.83 140.58 48.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.589 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -128.02 146.1 50.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.5 t -135.9 143.15 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.93 0.492 . . . . 0.0 110.882 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -134.42 141.06 46.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.16 140.73 58.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.915 0.388 . . . . 0.0 110.631 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.3 121.56 17.87 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -145.61 -18.81 0.47 Allowed 'General case' 0 C--O 1.231 0.089 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -162.11 138.11 7.66 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.7 0.8 . . . . 0.0 109.388 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 61.59 -173.57 7.14 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 123.441 0.543 . . . . 0.0 113.129 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.2 p -160.29 154.96 24.01 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.929 0.892 . . . . 0.0 109.444 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.3 tt -81.97 -52.6 6.89 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.4 t 58.73 128.78 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.81 153.16 73.45 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.758 2.305 . . . . 0.0 110.674 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 117.558 -1.21 . . . . 0.0 110.282 -179.775 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 120.635 0.255 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -69.13 154.71 41.61 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 122.893 0.477 . . . . 0.0 110.519 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.79 -11.9 69.99 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -80.31 0.94 30.71 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -155.2 -172.25 4.11 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.681 0.793 . . . . 0.0 110.723 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -130.62 164.13 25.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.275 38.3 t80 -59.11 130.09 45.3 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -171.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.458 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 83.42 6.76 87.31 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.28 -178.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.82 142.14 51.2 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.33 -15.43 9.12 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.878 0.751 . . . . 0.0 112.925 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -81.75 114.42 20.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.32 1.06 . . . . 0.0 112.755 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -137.74 153.71 49.7 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 122.643 0.377 . . . . 0.0 110.433 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 147.53 29.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -130.49 127.34 39.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.111 0.564 . . . . 0.0 109.696 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -157.56 157.72 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.751 0.82 . . . . 0.0 110.258 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.5 118.11 8.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -68.17 -18.87 64.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -153.72 125.19 7.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.281 0.492 . . . . 0.0 110.307 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.8 147.85 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.492 1.117 . . . . 0.0 108.246 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.54 140.4 41.04 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.86 154.3 7.91 Favored 'Isoleucine or valine' 0 C--N 1.337 0.032 0 C-N-CA 122.679 0.391 . . . . 0.0 111.047 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -86.61 156.97 19.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.87 142.17 53.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.22 -0.3 . . . . 0.0 110.589 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.81 3.65 65.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.846 -0.974 . . . . 0.0 114.647 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.66 171.91 13.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 119.298 1.549 . . . . 0.0 111.396 176.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 m -93.37 166.36 12.33 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.64 157.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.467 1.107 . . . . 0.0 109.216 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -121.07 142.15 50.1 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.764 0.826 . . . . 0.0 110.333 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.6 t -135.15 88.54 25.92 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.285 1.034 . . . . 0.0 110.959 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.32 143.08 47.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.348 2.699 . . . . 0.0 111.129 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.478 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.0 p -162.55 166.53 24.63 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 111.35 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.0 p -153.72 169.46 23.27 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.15 0.58 . . . . 0.0 110.922 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -141.23 170.27 16.05 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.1 m -143.13 147.32 34.78 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.137 0.975 . . . . 0.0 110.343 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -153.62 154.85 30.93 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -67.21 154.34 74.52 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.048 2.499 . . . . 0.0 109.857 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 56.1 tt0 -80.35 -1.54 41.57 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.776 0.43 . . . . 0.0 111.842 -177.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.91 141.39 51.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.21 1.34 90.35 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.209 -0.773 . . . . 0.0 114.273 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.427 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 66.8 p-90 -151.44 165.83 32.94 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.76 1.28 . . . . 0.0 111.914 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.9 161.78 27.48 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -60.51 -27.83 67.91 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -86.86 -6.47 58.79 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.97 149.36 94.87 Favored Pre-proline 0 C--O 1.231 0.13 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.73 158.7 56.1 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.55 2.833 . . . . 0.0 109.892 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.99 147.47 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 122.593 0.357 . . . . 0.0 110.158 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -149.22 164.06 35.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.808 1.243 . . . . 0.0 110.161 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.8 155.49 26.19 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -148.92 170.8 17.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -135.91 147.03 47.97 Favored 'General case' 0 CA--C 1.522 -0.115 0 C-N-CA 124.365 1.066 . . . . 0.0 111.627 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -143.96 152.48 41.14 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.34 137.6 39.94 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.98 135.83 56.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.972 0.415 . . . . 0.0 110.639 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.94 -5.84 81.13 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-O 118.914 -0.936 . . . . 0.0 114.126 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -84.39 -178.23 6.86 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.379 1.59 . . . . 0.0 107.571 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -108.9 112.64 60.08 Favored Pre-proline 0 C--O 1.233 0.191 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.55 -10.79 29.62 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.423 2.082 . . . . 0.0 110.524 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -94.25 -5.21 47.34 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -130.98 -14.76 3.44 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -113.54 158.11 21.18 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.44 149.34 84.02 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.76 155.45 53.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.865 2.377 . . . . 0.0 110.063 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -83.32 -16.79 11.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 O-C-N 122.148 -0.345 . . . . 0.0 111.834 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.63 153.63 13.01 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.396 1.078 . . . . 0.0 108.809 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -162.36 154.96 19.53 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -90.39 -13.32 35.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.707 0.803 . . . . 0.0 110.929 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -72.73 120.86 83.04 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -73.0 -17.16 25.27 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.428 2.752 . . . . 0.0 112.393 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -97.82 -15.16 20.37 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -92.43 133.98 35.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.864 0.466 . . . . 0.0 110.366 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -82.86 179.31 7.81 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.807 0.443 . . . . 0.0 110.002 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.62 173.58 14.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.11 0.564 . . . . 0.0 111.508 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -58.52 144.6 42.0 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.448 0.299 . . . . 0.0 111.33 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.8 65.83 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -84.35 -9.82 58.11 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.988 0.358 . . . . 0.0 111.043 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.457 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.28 -0.52 12.01 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -59.85 127.13 30.44 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.53 -1.48 43.91 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.643 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -113.39 -33.3 5.97 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.969 1.384 . . . . 0.0 112.063 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -87.44 141.45 28.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 174.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.32 147.44 22.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.3 mt -101.51 144.41 30.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 mt -115.98 171.27 7.89 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.676 0.79 . . . . 0.0 110.43 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.2 -155.44 50.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.258 7.5 p30 -137.26 144.85 42.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 178.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -23.82 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.833 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -81.58 5.32 18.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.302 0.641 . . . . 0.0 111.736 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t -126.77 15.09 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.941 0.897 . . . . 0.0 109.753 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 58.96 24.75 12.95 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.375 1.07 . . . . 0.0 113.227 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -82.46 144.85 30.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.7 p -128.03 9.94 6.35 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.339 0.656 . . . . 0.0 111.464 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 m -45.08 131.4 7.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.956 0.903 . . . . 0.0 111.482 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.6 tp -115.95 148.07 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 108.924 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.8 t -138.64 135.42 34.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 124.68 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -103.37 140.68 37.12 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.9 t0 48.68 62.4 2.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 147.68 37.64 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -139.18 165.54 26.89 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.738 0.815 . . . . 0.0 109.721 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.7 -13.8 26.11 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -76.39 -16.25 59.76 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.036 0.534 . . . . 0.0 111.529 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -83.69 -15.49 48.56 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 122.983 0.513 . . . . 0.0 111.83 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.572 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -65.31 133.61 51.79 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.99 -150.47 22.53 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.2 m -142.46 153.24 43.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.078 0.551 . . . . 0.0 109.974 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -148.37 166.65 27.44 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -144.48 158.71 43.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -94.25 154.57 17.47 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -131.81 137.24 48.05 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 122.436 0.294 . . . . 0.0 110.208 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.8 145.49 38.06 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 124.398 1.079 . . . . 0.0 110.288 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -150.94 119.43 6.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -153.48 131.71 11.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 109.082 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.96 -141.06 47.37 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -81.88 -5.9 58.64 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.102 0.451 . . . . 0.0 110.816 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -90.76 141.9 28.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.223 0.609 . . . . 0.0 112.163 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 145.33 31.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 174.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.458 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.8 t-105 -154.08 147.53 25.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.506 0.139 . . . . 0.0 111.137 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.4 m -116.11 131.13 57.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.667 0.387 . . . . 0.0 110.026 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.308 81.1 m-85 -82.04 57.93 3.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -134.99 158.11 45.18 Favored 'General case' 0 C--O 1.227 -0.094 0 C-N-CA 123.925 0.89 . . . . 0.0 108.909 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.4 m -63.81 145.2 56.22 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 122.182 -0.324 . . . . 0.0 110.82 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -145.79 -176.26 5.07 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.065 0.946 . . . . 0.0 110.61 -173.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.595 HD23 ' H ' ' A' ' 123' ' ' LEU . 1.1 pt? -50.81 -34.87 29.38 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -170.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -135.48 20.41 3.36 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.154 0.582 . . . . 0.0 110.649 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.257 22.4 t80 -137.04 148.83 47.06 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -171.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -145.9 136.89 24.57 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.138 0.575 . . . . 0.0 110.857 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.5 t -156.28 160.85 40.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.888 0.475 . . . . 0.0 111.793 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -76.9 169.78 17.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.081 0.467 . . . . 0.0 110.873 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -139.17 166.13 25.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.685 0.794 . . . . 0.0 110.673 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.48 123.67 45.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.2 t -102.45 142.92 32.87 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 172.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.12 141.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.149 0.58 . . . . 0.0 109.92 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.9 m-85 -130.27 147.05 51.95 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.8 t -135.43 143.45 36.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 122.795 0.438 . . . . 0.0 111.526 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -134.61 142.13 46.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.76 141.37 58.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.985 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.4 HD13 ' N ' ' A' ' 138' ' ' THR . 1.1 tm? -69.77 123.19 20.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.4 ' N ' HD13 ' A' ' 137' ' ' LEU . 6.3 t -146.56 -20.93 0.42 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 176.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -160.68 136.56 8.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 62.38 -174.15 8.06 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-O 121.275 0.375 . . . . 0.0 113.153 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 87.1 p -159.7 154.08 23.85 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.982 0.913 . . . . 0.0 109.315 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.0 tt -80.96 -50.87 9.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 119.5 -0.286 . . . . 0.0 111.649 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.5 t 58.14 127.79 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 125.729 1.612 . . . . 0.0 115.158 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.53 145.43 82.28 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.159 1.906 . . . . 0.0 110.454 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 70.8 mmt-85 . . . . . 0 C--O 1.253 1.25 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.624 -179.459 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 120.674 0.274 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -69.21 152.54 44.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.865 0.364 . . . . 0.0 110.396 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.62 -1.09 59.14 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.347 0.499 . . . . 0.0 112.692 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.54 -11.37 60.01 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.142 0.971 . . . . 0.0 109.135 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -155.27 171.46 19.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.748 0.819 . . . . 0.0 109.676 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -133.01 166.23 22.88 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -56.63 129.27 40.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -170.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 89.29 0.56 79.9 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.412 -0.66 . . . . 0.0 113.585 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -60.17 149.11 33.86 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.71 -14.92 8.61 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.433 -0.648 . . . . 0.0 113.106 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.41 119.5 25.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.084 0.942 . . . . 0.0 112.653 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.7 mt -138.73 158.13 44.82 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.723 0.409 . . . . 0.0 110.527 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -143.93 143.51 31.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.105 0.562 . . . . 0.0 109.938 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.66 113.46 14.8 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.3 p -154.68 155.81 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.392 0.677 . . . . 0.0 110.702 -176.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -67.82 119.27 12.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.511 0.724 . . . . 0.0 109.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.77 -19.13 64.31 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.61 124.35 7.86 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 118.35 0.523 . . . . 0.0 110.249 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -121.11 148.06 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.739 1.216 . . . . 0.0 108.242 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.81 141.97 42.9 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.89 154.63 7.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 122.906 0.482 . . . . 0.0 110.954 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.01 156.17 19.45 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -68.38 140.93 55.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.21 -0.306 . . . . 0.0 110.686 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.19 65.83 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.728 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.77 173.84 11.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 119.268 1.534 . . . . 0.0 111.696 176.326 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -91.75 167.41 12.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.72 155.32 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 124.539 1.136 . . . . 0.0 109.251 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -120.0 140.21 51.3 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.569 0.748 . . . . 0.0 110.157 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 t -134.35 89.12 28.28 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 123.732 0.813 . . . . 0.0 111.283 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -70.1 142.81 47.4 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.291 2.66 . . . . 0.0 111.237 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB3' HG23 ' A' ' 15' ' ' VAL . 17.0 p -161.48 167.66 25.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 122.196 0.198 . . . . 0.0 111.275 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -153.0 172.22 17.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.195 0.598 . . . . 0.0 110.692 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -141.41 170.71 15.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 t -147.72 149.63 32.79 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.042 0.537 . . . . 0.0 110.118 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -152.89 156.12 32.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -172.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.85 157.69 60.63 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.199 2.599 . . . . 0.0 110.339 173.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.7 tt0 -80.22 -1.93 42.72 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.142 0.577 . . . . 0.0 112.283 -177.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.76 139.82 55.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 4.98 90.06 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.75 -1.028 . . . . 0.0 114.326 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.3 p-90 -151.19 166.24 31.47 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 119.331 1.566 . . . . 0.0 112.88 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.94 166.36 22.53 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.04 -10.85 11.1 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -100.06 -5.3 28.21 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.952 0.501 . . . . 0.0 111.785 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 94.9 m-20 -75.6 157.71 83.96 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 24.0 Cg_exo -67.98 173.14 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.024 3.149 . . . . 0.0 112.072 172.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.08 140.1 27.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 124.0 0.92 . . . . 0.0 112.328 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -149.29 162.73 39.46 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.531 0.732 . . . . 0.0 111.026 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.81 156.23 26.57 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -152.24 172.49 16.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -138.46 147.78 43.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.729 1.212 . . . . 0.0 111.46 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -144.98 153.04 41.09 Favored 'General case' 0 CA--C 1.522 -0.12 0 C-N-CA 122.938 0.495 . . . . 0.0 110.584 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.63 146.51 42.37 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.3 135.46 56.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.66 -9.0 78.95 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.51 -0.605 . . . . 0.0 113.003 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -69.02 160.1 31.6 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -104.81 97.99 14.09 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.5 -13.86 41.67 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.515 2.81 . . . . 0.0 114.509 -168.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.28 19.2 p90 -94.24 -0.7 54.93 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -134.09 -29.04 1.3 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 122.3 0.24 . . . . 0.0 111.389 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -84.15 156.64 22.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.293 0.637 . . . . 0.0 111.671 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.11 143.67 61.56 Favored Pre-proline 0 N--CA 1.45 -0.468 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -72.32 154.45 56.25 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.911 2.407 . . . . 0.0 110.23 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -81.73 -16.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 122.319 -0.238 . . . . 0.0 111.539 175.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.88 151.41 14.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.011 0.924 . . . . 0.0 109.219 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -161.72 161.57 29.4 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -110.48 -1.31 17.06 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.558 0.743 . . . . 0.0 110.673 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -70.51 127.79 91.71 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -71.22 -16.87 31.53 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.554 2.836 . . . . 0.0 112.817 -175.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -109.92 -15.89 13.97 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -84.89 138.02 32.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.15 -0.344 . . . . 0.0 110.206 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -87.52 -178.96 6.25 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.101 0.56 . . . . 0.0 110.259 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.52 170.14 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.084 0 C-N-CA 123.642 0.777 . . . . 0.0 111.947 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.55 148.0 30.18 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.988 0.515 . . . . 0.0 111.406 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.89 64.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -84.28 -12.29 54.94 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.995 0.361 . . . . 0.0 111.377 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.467 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.66 -1.59 13.98 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.62 128.77 38.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.71 1.6 58.88 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.791 -1.005 . . . . 0.0 113.412 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -119.11 -35.59 3.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.867 1.333 . . . . 0.0 111.87 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.467 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -85.2 139.02 31.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -157.36 149.02 22.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.294 -0.254 . . . . 0.0 110.778 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.0 mt -100.37 141.14 33.63 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.0 mt -115.89 -11.01 11.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.818 0.447 . . . . 0.0 111.828 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.76 143.85 23.68 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.08 124.22 28.55 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.28 44.19 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 122.576 0.35 . . . . 0.0 111.424 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -84.01 4.69 28.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.911 0.484 . . . . 0.0 111.072 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -121.95 13.09 10.55 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.064 0.945 . . . . 0.0 110.422 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.03 21.66 8.06 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.371 1.068 . . . . 0.0 113.328 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.03 147.31 24.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -128.8 12.23 6.24 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.626 0.77 . . . . 0.0 112.282 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.6 m -44.54 126.95 5.75 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.66 0.784 . . . . 0.0 111.795 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.2 tp -110.04 149.74 29.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.526 1.13 . . . . 0.0 109.479 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.7 t -139.23 137.02 35.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.164 -0.335 . . . . 0.0 110.346 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.83 124.88 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -102.46 141.55 35.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 45.62 58.53 4.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.88 148.98 15.78 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -135.24 165.29 25.77 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 123.851 0.861 . . . . 0.0 109.879 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.97 -15.12 27.94 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -78.52 -15.49 58.53 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.287 0.635 . . . . 0.0 111.467 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -81.17 -13.04 59.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.554 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.5 tttt -66.43 133.33 50.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.53 -151.82 23.7 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -138.77 152.49 47.96 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 123.015 0.526 . . . . 0.0 109.991 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -146.61 165.08 30.61 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -139.58 155.2 47.62 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.101 0.561 . . . . 0.0 111.646 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -87.95 154.59 20.39 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -131.69 130.18 41.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.831 0.287 . . . . 0.0 110.418 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.2 146.49 25.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.676 0.79 . . . . 0.0 110.526 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -144.55 117.04 8.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 172.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -148.79 116.81 6.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.63 -138.89 47.66 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.6 m -79.36 -6.19 56.23 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.815 0.307 . . . . 0.0 111.404 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -95.11 145.16 25.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.362 0.665 . . . . 0.0 112.134 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 148.59 36.61 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.431 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.6 t-105 -150.89 151.57 32.39 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.425 0.155 . . . . 0.0 110.711 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.97 131.18 53.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.995 0.518 . . . . 0.0 110.261 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.305 79.4 m-85 -84.12 62.57 7.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -174.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -140.4 159.97 41.01 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.6 m -66.22 151.86 46.09 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.475 0.31 . . . . 0.0 111.534 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -147.41 -168.53 3.08 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.719 0.808 . . . . 0.0 110.733 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 123' ' ' LEU . 2.0 pt? -54.12 -38.14 65.1 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -134.61 13.4 3.74 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.923 0.489 . . . . 0.0 111.254 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 33.9 t80 -130.65 149.45 52.3 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -174.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -145.61 136.93 24.96 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.888 0.475 . . . . 0.0 110.72 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.6 t -158.36 157.05 31.62 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.118 0.567 . . . . 0.0 111.524 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.86 170.95 15.61 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.812 0.445 . . . . 0.0 111.013 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -136.25 169.37 17.75 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.001 0.92 . . . . 0.0 110.88 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.0 tp -100.53 127.79 46.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 t -106.44 143.32 34.72 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 172.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.39 140.4 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.094 0.558 . . . . 0.0 109.737 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.554 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.1 m-85 -129.35 146.59 51.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 14.7 t -135.55 143.25 37.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.989 0.515 . . . . 0.0 111.991 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -135.99 143.59 44.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.62 141.69 58.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.729 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 138' ' ' THR . 1.1 tm? -70.37 123.3 21.41 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.401 ' N ' HD13 ' A' ' 137' ' ' LEU . 6.2 t -147.3 -19.62 0.39 Allowed 'General case' 0 CA--C 1.527 0.07 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 176.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -162.11 136.53 6.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.547 0.739 . . . . 0.0 109.046 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 64.52 -177.65 9.23 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 123.062 0.363 . . . . 0.0 112.837 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 79.1 p -161.14 152.35 18.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.917 0.887 . . . . 0.0 109.201 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.0 tt -78.37 -59.6 2.72 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.8 t 42.63 83.97 0.19 Allowed Pre-proline 0 CA--C 1.534 0.327 0 C-N-CA 124.937 1.295 . . . . 0.0 114.125 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.31 143.88 44.62 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.988 2.459 . . . . 0.0 110.716 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.105 -1.426 . . . . 0.0 112.312 178.816 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.72 150.41 47.32 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.371 0.268 . . . . 0.0 110.515 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.51 13.11 76.84 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.7 t0 55.73 67.09 1.06 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.022 0.929 . . . . 0.0 113.043 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -156.38 176.97 11.99 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.602 0.761 . . . . 0.0 110.304 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -137.33 166.57 23.49 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.01 0.924 . . . . 0.0 108.592 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 29.8 t80 -52.79 124.02 12.88 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -172.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 82.28 2.96 90.7 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.171 -0.794 . . . . 0.0 113.363 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -66.99 152.33 45.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.929 1.365 . . . . 0.0 108.498 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.0 -15.71 9.99 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.62 0.629 . . . . 0.0 113.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.76 118.93 24.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.176 0.988 . . . . 0.0 113.273 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -139.14 151.37 46.59 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.642 0.377 . . . . 0.0 110.193 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.6 148.51 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -130.5 127.5 39.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.8 p -156.85 156.27 4.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.53 0.732 . . . . 0.0 110.445 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -65.45 117.75 8.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.41 -16.63 62.97 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 tp -152.36 122.76 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.267 0.485 . . . . 0.0 110.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.89 149.12 22.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.61 141.43 41.26 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.92 153.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.82 0.448 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -85.92 156.18 20.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.103 0.478 . . . . 0.0 109.785 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.33 139.82 54.27 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.089 -0.382 . . . . 0.0 110.877 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.88 3.92 63.73 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.874 -0.959 . . . . 0.0 114.806 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.46 176.94 9.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.264 1.532 . . . . 0.0 111.948 177.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -91.74 164.73 13.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -170.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.18 155.15 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 173.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -119.99 140.76 50.45 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.402 0.681 . . . . 0.0 110.322 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -133.66 88.47 33.56 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.944 0.898 . . . . 0.0 111.335 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.08 142.93 43.27 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.361 2.707 . . . . 0.0 111.01 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.6 p -161.43 167.16 26.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.434 177.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.8 t -153.74 166.22 33.54 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.81 0.444 . . . . 0.0 110.698 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -140.66 169.98 16.62 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.4 t -145.6 147.69 32.32 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.046 0.938 . . . . 0.0 110.122 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -154.54 155.52 30.72 Favored Pre-proline 0 N--CA 1.454 -0.251 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -174.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.45 157.59 61.19 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.232 2.621 . . . . 0.0 110.346 174.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.9 tt0 -79.68 0.39 30.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.943 0.497 . . . . 0.0 111.663 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.69 129.12 39.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.26 5.48 69.98 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 119.253 -0.749 . . . . 0.0 113.912 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -153.82 166.92 31.39 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.773 1.286 . . . . 0.0 112.076 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.0 164.7 23.71 Favored 'General case' 0 CA--C 1.526 0.043 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -62.6 -10.84 13.56 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 t -98.57 -9.18 25.24 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.034 0.533 . . . . 0.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.51 148.07 85.35 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.1 166.89 28.31 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.688 2.925 . . . . 0.0 110.217 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.58 146.38 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.705 0.402 . . . . 0.0 110.703 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -149.18 164.76 33.82 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.194 1.397 . . . . 0.0 110.433 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.19 158.26 26.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -151.68 171.41 17.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 -175.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -136.98 148.59 46.99 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.016 1.327 . . . . 0.0 111.272 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -144.94 151.23 38.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.869 0.468 . . . . 0.0 110.464 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -72.77 145.86 46.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.5 136.18 56.68 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.93 -9.28 78.24 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-O 119.458 -0.634 . . . . 0.0 112.602 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -68.8 163.47 24.07 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -114.85 97.61 47.87 Favored Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 124.219 1.008 . . . . 0.0 108.322 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -56.66 -23.01 46.82 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 123.908 3.072 . . . . 0.0 114.749 -172.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.286 14.4 p90 -87.41 -3.03 59.01 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 116.723 2.12 . . . . 0.0 116.723 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -134.33 -24.59 1.59 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.354 0.262 . . . . 0.0 111.429 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -93.94 154.34 17.73 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.383 0.673 . . . . 0.0 111.728 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.38 145.52 55.69 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -71.9 155.03 58.29 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.129 2.553 . . . . 0.0 110.744 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.23 -15.41 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.63 152.19 17.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.693 0.797 . . . . 0.0 109.701 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -161.45 166.25 27.53 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.596 0.358 . . . . 0.0 111.482 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -119.74 -1.37 10.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.731 0.812 . . . . 0.0 111.371 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -75.99 124.23 88.39 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -69.0 -18.86 40.37 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.403 2.735 . . . . 0.0 112.764 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -94.17 -13.61 26.5 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -87.69 153.04 21.68 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.295 0.638 . . . . 0.0 110.756 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -115.96 177.61 4.62 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.517 0.727 . . . . 0.0 109.676 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -131.38 168.81 23.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -58.71 145.77 38.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.295 0.638 . . . . 0.0 110.803 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.25 -19.72 65.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -87.45 -4.36 59.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.956 0.344 . . . . 0.0 111.574 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -124.31 -6.66 7.64 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 176.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -60.26 132.08 52.79 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.83 0.348 . . . . 0.0 110.194 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.76 3.87 74.61 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.907 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -127.46 -35.15 2.19 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 118.422 1.111 . . . . 0.0 112.333 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -89.92 140.44 29.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 175.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -155.64 146.52 22.29 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 117.696 0.226 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.82 144.93 28.31 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.14 178.27 4.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.58 0.752 . . . . 0.0 109.864 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -151.14 36.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -141.07 130.04 23.2 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.405 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.2 -29.61 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.136 0.575 . . . . 0.0 111.282 -177.49 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -80.38 -4.65 54.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.291 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -107.13 10.63 30.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.02 0.928 . . . . 0.0 109.516 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 59.32 24.99 13.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.589 1.156 . . . . 0.0 113.147 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -83.08 143.02 30.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.1 p -122.64 10.93 9.76 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.281 0.633 . . . . 0.0 111.515 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -45.63 131.36 8.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.876 0.87 . . . . 0.0 112.292 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -116.56 149.17 40.07 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.974 0.91 . . . . 0.0 108.831 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 t -139.75 138.72 36.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.919 0.39 . . . . 0.0 110.103 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.9 137.57 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -124.75 140.9 52.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.506 0.722 . . . . 0.0 109.31 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.06 57.15 6.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.36 147.77 30.04 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -132.34 167.06 20.55 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.91 -17.08 55.46 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp85 -79.94 -14.09 58.87 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.023 0.374 . . . . 0.0 111.915 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.06 -15.45 58.89 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.56 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.6 tttt -64.65 130.87 45.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.773 0.429 . . . . 0.0 109.898 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.27 -151.63 23.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.7 m -138.56 154.68 48.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.203 0.601 . . . . 0.0 110.526 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -147.1 165.78 28.9 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.77 0.428 . . . . 0.0 110.075 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -140.77 157.47 45.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.392 0.677 . . . . 0.0 110.957 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -93.45 154.41 17.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -131.89 133.48 44.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.548 0.339 . . . . 0.0 110.382 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 tp -105.41 145.45 30.8 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.079 0.952 . . . . 0.0 110.306 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -149.49 119.86 7.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.046 0.539 . . . . 0.0 109.693 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -152.03 131.34 12.85 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.915 0.886 . . . . 0.0 108.616 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -140.56 47.11 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.0 m -79.94 -8.34 59.28 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.861 0.33 . . . . 0.0 111.379 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -91.69 144.33 25.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -144.37 149.84 36.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.562 1.145 . . . . 0.0 108.129 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.413 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 71.6 t-105 -152.56 152.54 31.98 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.458 0.17 . . . . 0.0 110.814 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.85 130.65 53.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.171 0.588 . . . . 0.0 109.863 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 79.1 m-85 -85.22 61.63 6.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 -175.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -143.84 165.4 27.8 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.548 0.739 . . . . 0.0 109.604 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p -61.01 144.07 54.11 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.011 0.434 . . . . 0.0 111.136 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -147.13 -177.91 5.92 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.559 1.144 . . . . 0.0 110.601 -175.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.649 HD23 ' H ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -52.23 -36.32 52.01 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -170.046 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -134.38 20.55 3.67 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 118.314 0.506 . . . . 0.0 110.863 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -139.89 148.97 42.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 -172.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.25 143.75 29.41 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.327 0.251 . . . . 0.0 110.818 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.9 t -158.88 163.01 36.99 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.456 0.702 . . . . 0.0 111.353 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.56 171.15 15.35 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.974 0.51 . . . . 0.0 110.882 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -139.16 166.16 25.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.224 1.01 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.38 125.59 46.66 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -104.41 143.24 33.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.0 t -128.61 141.38 46.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 122.857 0.463 . . . . 0.0 109.757 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.56 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -130.38 146.69 51.99 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.83 143.42 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.881 0.472 . . . . 0.0 111.641 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -136.32 142.81 43.9 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.89 141.39 58.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 120.41 15.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.1 t -145.27 -18.3 0.49 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -161.22 137.99 8.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.98 -175.13 10.97 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 123.242 0.448 . . . . 0.0 113.059 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.2 t -160.05 151.93 20.23 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.964 0.906 . . . . 0.0 109.273 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.6 tt -79.04 -54.46 5.99 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 119.627 -0.225 . . . . 0.0 111.343 -176.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.3 t 47.3 99.0 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.15 143.97 60.84 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.68 2.92 . . . . 0.0 111.971 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.245 -1.36 . . . . 0.0 110.089 -178.767 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -63.39 157.98 21.76 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 111.674 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.65 0.59 87.9 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.536 -0.591 . . . . 0.0 113.052 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -75.28 68.59 2.02 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 117.962 0.881 . . . . 0.0 111.519 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -157.17 175.25 14.29 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.073 0.949 . . . . 0.0 110.1 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -124.39 165.87 16.96 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.251 67.8 t80 -57.24 129.63 42.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 115.953 1.835 . . . . 0.0 115.953 -171.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.446 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 87.85 1.71 82.24 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.296 -0.725 . . . . 0.0 113.396 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.45 149.6 29.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.83 -16.22 7.1 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.861 0.743 . . . . 0.0 112.905 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -82.89 118.16 23.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.182 0.991 . . . . 0.0 113.243 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 mt -139.34 150.75 45.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.808 0.443 . . . . 0.0 110.134 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.68 146.53 28.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.752 0.421 . . . . 0.0 109.999 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.58 124.7 36.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 31' ' ' CYS . 10.6 p -155.62 156.92 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 110.746 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.76 118.21 9.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -67.3 -21.38 65.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.82 122.11 7.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.777 0.322 . . . . 0.0 110.213 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -117.2 148.71 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.418 1.087 . . . . 0.0 108.297 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.63 140.77 41.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.98 152.44 10.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 C-N-CA 122.725 0.41 . . . . 0.0 110.892 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' HB2' HD11 ' A' ' 25' ' ' LEU . 34.1 mt-30 -85.52 157.12 20.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -69.84 141.3 53.28 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.966 -0.459 . . . . 0.0 110.888 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 6.12 68.33 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 119.169 -0.795 . . . . 0.0 114.641 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.08 176.64 9.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.045 1.423 . . . . 0.0 111.497 176.106 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -91.85 167.32 12.23 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.44 154.55 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.439 1.096 . . . . 0.0 108.853 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -120.97 140.39 51.95 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 123.334 0.654 . . . . 0.0 109.781 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.67 88.88 32.3 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.95 142.59 43.05 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.045 2.496 . . . . 0.0 111.143 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.2 p -161.47 166.81 26.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.184 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.3 p -154.02 170.54 20.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.907 0.483 . . . . 0.0 110.861 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -141.41 172.15 13.08 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.85 145.98 28.91 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.932 0.893 . . . . 0.0 110.076 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -151.75 156.23 34.3 Favored Pre-proline 0 N--CA 1.454 -0.273 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -172.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -67.18 156.87 64.39 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.305 2.67 . . . . 0.0 109.828 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.5 tt0 -81.51 0.25 38.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.907 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -67.85 138.64 56.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.84 4.24 90.41 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.213 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -150.96 166.27 31.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.216 1.508 . . . . 0.0 112.723 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.18 164.57 23.12 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -61.69 -11.31 11.29 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -102.57 -4.44 25.25 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.09 0.556 . . . . 0.0 112.109 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 93.9 m-20 -77.14 141.36 66.98 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 44.7 Cg_exo -59.67 163.18 13.73 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.74 2.96 . . . . 0.0 111.866 173.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.47 146.85 17.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-O 120.934 0.397 . . . . 0.0 110.581 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -148.91 167.5 25.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.74 1.216 . . . . 0.0 110.296 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.01 158.24 27.35 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -150.37 168.73 23.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -175.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -133.52 148.66 51.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.67 1.188 . . . . 0.0 111.302 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -144.32 148.02 34.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -74.16 138.17 43.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.79 133.72 56.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.379 -177.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.31 -2.19 88.23 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.926 -0.93 . . . . 0.0 114.038 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -83.21 -172.32 4.07 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.242 1.521 . . . . 0.0 107.501 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -124.3 97.7 39.62 Favored Pre-proline 0 C--N 1.34 0.163 0 C-N-CA 122.646 0.378 . . . . 0.0 111.142 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -56.47 -19.66 30.05 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.64 2.893 . . . . 0.0 113.459 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -79.63 -13.37 59.55 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -134.63 -14.82 2.16 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -98.18 151.57 20.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.215 0.606 . . . . 0.0 111.914 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.17 151.38 83.69 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.45 152.01 54.14 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.965 2.443 . . . . 0.0 110.171 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -80.03 -16.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.54 149.95 11.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.263 1.025 . . . . 0.0 109.432 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 t -161.12 164.23 30.8 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -113.72 -1.26 14.02 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 111.043 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -79.93 121.14 81.82 Favored Pre-proline 0 N--CA 1.451 -0.389 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.26 -14.76 25.59 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.076 2.517 . . . . 0.0 111.589 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -91.13 3.01 55.9 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -133.23 131.41 40.28 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.161 0.505 . . . . 0.0 111.467 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 pm0 -83.01 -178.31 7.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.879 1.271 . . . . 0.0 110.745 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 m -126.54 172.88 13.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 123.788 0.835 . . . . 0.0 110.458 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -58.88 148.3 30.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.956 0.502 . . . . 0.0 111.429 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.41 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -83.99 -7.65 59.35 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.271 -0.268 . . . . 0.0 111.236 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -119.34 -1.25 10.81 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 177.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 131.52 50.94 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.15 59.94 Favored Glycine 0 CA--C 1.531 1.031 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.425 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -122.66 -35.89 2.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.481 1.14 . . . . 0.0 111.807 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -87.19 139.81 30.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -156.96 148.23 22.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -100.07 144.76 28.72 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 mt -119.78 178.17 4.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.664 0.785 . . . . 0.0 110.055 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.48 -152.09 37.13 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -139.6 130.41 26.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.437 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -66.1 -28.71 44.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 122.935 0.494 . . . . 0.0 111.503 -177.194 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -79.89 -6.62 57.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.84 0.456 . . . . 0.0 111.065 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -105.63 11.96 31.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.964 0.906 . . . . 0.0 109.599 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 59.42 26.07 14.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.467 1.107 . . . . 0.0 113.15 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -82.54 147.56 28.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.25 11.2 6.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.519 0.728 . . . . 0.0 111.385 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.9 m -46.08 133.31 9.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.567 0.747 . . . . 0.0 112.02 -171.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -118.59 148.17 42.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.831 0.852 . . . . 0.0 109.201 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.5 t -138.65 136.68 36.15 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.303 -0.248 . . . . 0.0 110.43 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.62 124.81 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -102.25 140.88 35.94 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 46.53 56.77 6.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.82 13.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.53 158.96 38.53 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.714 0.806 . . . . 0.0 109.262 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -63.42 -10.71 18.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -78.72 -21.19 48.47 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.227 0.611 . . . . 0.0 111.119 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -73.36 -12.86 60.97 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.918 0.487 . . . . 0.0 111.938 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -63.92 129.73 41.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.83 -154.99 25.99 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 m -136.99 152.94 50.73 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.886 0.474 . . . . 0.0 109.8 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -147.52 165.23 30.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.0 156.5 46.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.315 0.646 . . . . 0.0 110.272 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -92.98 154.49 18.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -132.88 130.89 40.29 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 122.66 0.384 . . . . 0.0 110.423 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.1 tp -103.08 146.47 28.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.0 0.92 . . . . 0.0 110.377 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -150.15 119.91 7.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.4 ttm-85 -150.88 131.42 13.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.979 0.912 . . . . 0.0 108.585 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.34 -139.38 47.97 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -80.01 -12.64 59.69 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.481 -0.423 . . . . 0.0 111.139 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -86.96 144.2 27.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.511 0.724 . . . . 0.0 112.886 -175.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -144.85 150.12 36.56 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.796 1.238 . . . . 0.0 108.245 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.446 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 70.6 t-105 -152.25 154.0 34.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.478 0.18 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.4 t -123.57 129.71 51.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.045 0.538 . . . . 0.0 110.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.303 80.1 m-85 -84.43 63.07 7.61 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -174.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -142.9 160.17 40.84 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.264 0.626 . . . . 0.0 109.788 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m -65.87 153.07 42.98 Favored 'General case' 0 C--O 1.231 0.132 0 C-N-CA 122.669 0.387 . . . . 0.0 111.168 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -145.62 -166.38 2.43 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.463 0.705 . . . . 0.0 110.901 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.523 HD23 ' H ' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -47.27 -33.03 5.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.022 1.329 . . . . 0.0 112.992 -176.672 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -151.16 -15.84 0.21 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -75.08 149.37 39.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 173.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -144.86 135.28 24.31 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.615 0.245 . . . . 0.0 111.627 -173.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.9 t -159.79 158.44 31.14 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.383 0.673 . . . . 0.0 111.361 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -83.9 171.56 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.856 0.462 . . . . 0.0 110.985 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.33 170.61 15.75 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 124.154 0.981 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.5 131.4 46.43 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 t -111.25 142.58 43.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.98 139.06 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.8 m-85 -127.87 145.87 50.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.4 t -135.63 143.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -132.86 143.86 49.8 Favored 'General case' 0 CA--C 1.527 0.062 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.36 139.37 58.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.399 0.28 . . . . 0.0 110.83 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.23 123.26 21.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.3 t -145.03 -16.93 0.5 Allowed 'General case' 0 C--N 1.334 -0.08 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -160.68 138.45 9.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.74 -171.47 16.04 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 123.359 0.504 . . . . 0.0 113.534 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.0 t -159.04 148.34 18.7 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.411 1.084 . . . . 0.0 109.121 177.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.4 tt -78.66 -51.83 9.3 Favored 'General case' 0 C--O 1.227 -0.097 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.5 t 48.45 83.86 0.21 Allowed Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.65 166.05 30.77 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.737 2.958 . . . . 0.0 111.515 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 124.836 1.254 . . . . 0.0 111.517 177.24 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 tpp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.782 -0.081 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.18 154.57 37.65 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.93 9.26 62.64 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.6 t0 56.6 36.26 27.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.909 0.883 . . . . 0.0 112.464 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -155.29 -173.97 4.78 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.578 0.751 . . . . 0.0 109.677 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -138.57 166.15 25.06 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.254 0.622 . . . . 0.0 110.141 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.262 52.3 t80 -58.36 136.87 57.51 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 -173.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 79.05 7.45 88.45 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.586 -0.563 . . . . 0.0 112.756 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.82 142.49 45.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.273 1.037 . . . . 0.0 113.786 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.62 -15.35 36.54 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.712 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -84.93 118.46 24.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.667 1.234 . . . . 0.0 112.623 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -137.21 151.04 48.31 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 122.43 0.292 . . . . 0.0 110.582 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.42 147.91 29.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -128.33 126.37 40.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.002 0.521 . . . . 0.0 109.604 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.0 p -156.63 156.34 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 C-N-CA 123.49 0.716 . . . . 0.0 110.822 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.26 118.8 9.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -67.44 -20.84 65.55 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -174.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.1 tp -153.21 124.19 7.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.168 0.44 . . . . 0.0 110.34 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.05 147.45 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 139.63 39.65 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.4 155.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.036 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -84.55 157.76 21.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.82 142.81 48.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.44 7.49 65.13 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 119.056 -0.858 . . . . 0.0 114.971 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -146.66 176.92 9.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.008 1.404 . . . . 0.0 111.304 176.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -91.4 165.92 13.15 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -169.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.36 144.85 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 124.372 1.069 . . . . 0.0 109.281 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -108.13 142.46 38.29 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.457 0.703 . . . . 0.0 110.021 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -136.33 86.32 24.71 Favored Pre-proline 0 N--CA 1.455 -0.207 0 C-N-CA 123.864 0.866 . . . . 0.0 111.415 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.85 141.83 45.94 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.985 2.456 . . . . 0.0 111.033 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.8 p -161.39 166.87 26.71 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.339 0.256 . . . . 0.0 111.178 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.3 p -153.22 168.64 25.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.802 0.441 . . . . 0.0 111.289 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -138.4 168.97 18.63 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.9 t -147.9 147.29 29.57 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.527 0.731 . . . . 0.0 109.97 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -152.57 156.01 33.04 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.42 157.18 62.96 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.109 2.539 . . . . 0.0 110.27 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.5 tt0 -79.02 -1.11 34.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.321 0.648 . . . . 0.0 112.352 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.74 129.5 40.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.14 7.35 73.63 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.152 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.471 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -153.83 167.91 28.08 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.933 1.367 . . . . 0.0 112.472 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.33 168.85 18.14 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.12 -10.92 16.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -97.34 -14.12 21.48 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.026 0.53 . . . . 0.0 111.354 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.01 145.78 86.68 Favored Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.14 164.6 35.14 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.913 3.076 . . . . 0.0 110.534 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -142.47 144.67 24.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.35 168.16 24.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.387 1.075 . . . . 0.0 110.924 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.46 158.04 27.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -150.96 171.01 17.95 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -136.91 149.25 47.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.824 1.25 . . . . 0.0 111.474 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -146.1 153.4 40.65 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -76.0 146.4 39.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.18 134.26 55.75 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.95 -8.96 77.59 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.622 -0.543 . . . . 0.0 112.73 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -70.61 164.23 25.34 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -106.51 105.92 56.01 Favored Pre-proline 0 CA--C 1.53 0.192 0 C-N-CA 123.803 0.841 . . . . 0.0 108.995 175.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.14 -4.85 3.31 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.62 2.88 . . . . 0.0 113.589 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.259 9.3 p90 -120.08 -0.97 10.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -134.32 -10.08 2.54 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.818 0.447 . . . . 0.0 111.54 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.58 152.31 40.55 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.46 149.56 81.52 Favored Pre-proline 0 N--CA 1.451 -0.391 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.86 154.22 58.57 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.476 2.784 . . . . 0.0 110.145 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -83.42 -16.64 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.84 153.68 19.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.057 0.943 . . . . 0.0 109.502 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.77 164.28 29.01 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.579 0.352 . . . . 0.0 111.382 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -115.86 -2.91 12.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.589 0.755 . . . . 0.0 110.903 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -75.22 122.8 88.12 Favored Pre-proline 0 N--CA 1.454 -0.227 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -71.24 -18.16 30.55 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.352 2.702 . . . . 0.0 112.636 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -92.12 -17.64 24.67 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -87.8 151.57 22.77 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.118 0.567 . . . . 0.0 110.683 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -116.12 177.13 4.79 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.294 0.638 . . . . 0.0 109.651 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.7 172.06 15.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.44 148.87 26.63 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.42 0.688 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.85 -22.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -83.07 -12.72 56.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.001 0.364 . . . . 0.0 111.433 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -114.88 -1.8 13.07 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 129.78 42.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.24 2.63 63.2 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.176 -0.791 . . . . 0.0 113.121 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -122.12 -32.58 3.66 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.294 1.047 . . . . 0.0 112.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.7 m-85 -97.19 136.85 37.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 175.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.53 154.37 30.2 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 120.511 0.196 . . . . 0.0 110.807 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.0 mt -106.03 145.18 31.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.465 0.306 . . . . 0.0 110.531 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.5 mt -121.82 174.39 6.89 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.385 1.074 . . . . 0.0 110.356 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 171.53 42.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -86.56 123.39 31.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.4 pt -69.08 -21.16 25.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 122.556 0.342 . . . . 0.0 111.236 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -84.41 -12.61 54.09 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.059 0.391 . . . . 0.0 110.871 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.3 t -94.48 11.74 29.75 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.656 0.782 . . . . 0.0 109.891 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 59.47 28.42 17.8 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.135 0.974 . . . . 0.0 112.691 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -78.88 143.08 36.25 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 174.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.6 p -129.19 9.65 5.71 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 111.38 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.1 m -45.02 115.61 0.93 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.272 1.029 . . . . 0.0 111.705 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.5 tp -90.65 144.04 26.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.7 t -134.09 134.83 42.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 68.3 mt -115.1 140.05 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 -122.94 142.42 50.84 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.746 0.819 . . . . 0.0 109.919 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 47.05 55.41 8.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 149.92 13.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -133.83 164.77 26.5 Favored 'General case' 0 CA--C 1.523 -0.06 0 C-N-CA 123.703 0.801 . . . . 0.0 109.683 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.57 -19.64 50.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -75.9 -14.78 60.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.672 0.389 . . . . 0.0 112.019 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.19 -13.56 59.62 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.574 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.2 tttt -66.11 134.48 52.89 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.072 0.549 . . . . 0.0 109.636 177.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.66 -149.82 21.82 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.9 m -138.32 153.17 49.01 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.166 0.587 . . . . 0.0 110.273 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -144.93 165.1 29.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.07 0.462 . . . . 0.0 109.947 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -140.38 156.96 46.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.251 28.6 t80 -94.69 154.62 17.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -131.28 133.76 45.73 Favored 'General case' 0 N--CA 1.458 -0.041 0 C-N-CA 122.657 0.383 . . . . 0.0 110.252 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.5 tp -103.67 147.34 27.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.679 0.791 . . . . 0.0 110.574 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.8 117.34 7.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -148.97 122.1 8.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.77 -138.33 47.2 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -81.62 -3.97 54.85 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 122.636 -0.332 . . . . 0.0 111.477 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -96.99 143.94 27.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.131 0.573 . . . . 0.0 112.258 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.55 146.2 34.39 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.512 1.125 . . . . 0.0 108.045 175.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 69.8 t-105 -150.64 156.07 40.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.518 0.145 . . . . 0.0 111.057 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -125.13 131.67 53.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.078 0.551 . . . . 0.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.293 77.5 m-85 -86.81 60.89 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -173.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -141.26 155.72 45.97 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.5 m -65.91 154.19 39.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.456 0.303 . . . . 0.0 111.729 -176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -146.4 -166.28 2.44 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.76 0.824 . . . . 0.0 110.086 -175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 123' ' ' LEU . 2.3 pt? -47.56 -34.89 8.26 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.289 1.036 . . . . 0.0 113.737 -177.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -138.87 -21.69 0.97 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.942 0.497 . . . . 0.0 111.978 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -77.26 149.95 35.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -145.7 131.32 18.86 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-O 121.153 0.501 . . . . 0.0 111.076 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.1 t -158.12 146.51 18.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.127 0.971 . . . . 0.0 109.874 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.401 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 61.7 pttt -71.24 168.61 16.92 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.257 0.623 . . . . 0.0 111.045 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -133.01 170.24 15.67 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.216 1.006 . . . . 0.0 111.218 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.0 tp -100.61 126.36 47.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.5 t -105.22 142.91 34.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 68.1 t -128.06 141.37 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.574 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.1 m-85 -130.07 147.01 51.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.07 143.67 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 122.935 0.494 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -131.74 143.22 50.08 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.77 141.3 58.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.714 0.292 . . . . 0.0 110.554 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -71.57 114.42 9.63 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.43 0.292 . . . . 0.0 110.54 -177.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -150.09 11.42 0.72 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -133.11 15.08 4.21 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.587 0.755 . . . . 0.0 110.644 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 82.52 163.04 32.48 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -173.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 80.6 p -67.78 146.05 54.1 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.951 0.405 . . . . 0.0 111.165 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.2 tt -83.36 -47.29 11.61 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.819 0.448 . . . . 0.0 110.642 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 3.0 t 49.15 79.06 0.36 Allowed Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.3 162.86 40.37 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.302 2.668 . . . . 0.0 110.953 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.417 -1.277 . . . . 0.0 111.05 179.266 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.211 0.078 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -74.8 151.71 39.05 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.166 -0.334 . . . . 0.0 110.512 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.01 -0.16 39.76 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.649 -0.529 . . . . 0.0 112.944 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -76.06 -2.03 28.79 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -156.7 169.94 23.55 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.511 0.724 . . . . 0.0 110.104 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -134.82 166.12 23.7 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.5 0.72 . . . . 0.0 109.169 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -56.1 127.39 30.35 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -171.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 91.3 0.21 73.97 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.578 -0.568 . . . . 0.0 113.409 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -59.99 148.67 34.53 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 174.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.25 -15.16 9.35 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.789 0.709 . . . . 0.0 112.83 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.84 113.72 19.97 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -136.27 150.82 49.1 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.514 0.326 . . . . 0.0 110.549 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -148.46 147.45 29.15 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -128.5 126.61 40.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.3 p -157.72 156.07 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.485 0.714 . . . . 0.0 110.731 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -65.72 116.4 6.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -69.9 -16.01 63.16 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.44 123.32 7.46 Favored 'General case' 0 C--N 1.337 0.053 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.71 147.65 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.58 141.24 45.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 177.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -153.52 155.13 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 122.48 0.312 . . . . 0.0 111.195 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -87.15 155.96 19.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.911 -0.493 . . . . 0.0 109.856 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -67.85 143.06 55.92 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.993 -0.442 . . . . 0.0 110.988 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.62 6.05 68.34 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.706 -1.052 . . . . 0.0 115.071 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -146.13 173.15 12.45 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.533 1.666 . . . . 0.0 111.863 176.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -91.84 166.61 12.65 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -171.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.73 157.03 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.514 1.126 . . . . 0.0 109.076 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -120.1 140.51 50.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.697 0.799 . . . . 0.0 110.341 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.99 90.17 27.33 Favored Pre-proline 0 CA--C 1.53 0.173 0 C-N-CA 124.006 0.922 . . . . 0.0 111.175 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.67 143.42 46.42 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.207 2.605 . . . . 0.0 111.553 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.482 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.3 p -161.88 166.85 25.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.532 0.206 . . . . 0.0 111.307 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -152.78 168.85 24.35 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.856 0.462 . . . . 0.0 111.19 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -139.44 170.5 15.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -148.04 148.52 30.77 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 109.943 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -152.49 155.8 33.02 Favored Pre-proline 0 CA--C 1.53 0.197 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -173.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 156.78 64.77 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.993 2.462 . . . . 0.0 109.931 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.452 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.8 tt0 -81.22 -1.13 43.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.941 0.496 . . . . 0.0 112.017 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -67.12 137.79 56.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.81 4.18 90.39 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.379 -0.679 . . . . 0.0 114.382 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.86 166.2 32.17 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 118.837 1.318 . . . . 0.0 112.086 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.64 163.64 24.63 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -64.07 -20.28 65.82 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -82.99 -15.79 49.79 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.806 0.442 . . . . 0.0 111.613 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -72.43 146.83 89.47 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -71.36 159.73 50.81 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.672 2.915 . . . . 0.0 109.983 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -140.53 146.42 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.767 0.427 . . . . 0.0 110.406 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -149.12 168.46 23.15 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.83 1.252 . . . . 0.0 110.194 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.81 158.43 27.66 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -149.97 174.94 12.15 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -136.33 149.05 48.21 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 124.224 1.009 . . . . 0.0 111.36 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.3 150.54 40.97 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.21 135.32 37.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 136.45 56.91 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.692 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.54 -5.83 83.74 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.043 -0.865 . . . . 0.0 113.641 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -84.59 -170.81 3.3 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.056 1.428 . . . . 0.0 107.649 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -135.19 110.95 10.81 Favored Pre-proline 0 CA--C 1.531 0.217 0 C-N-CA 122.914 0.485 . . . . 0.0 110.739 176.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.32 -19.7 36.23 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 124.209 3.273 . . . . 0.0 113.435 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.267 16.2 p90 -77.92 -5.84 52.38 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -134.34 -26.19 1.47 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.347 0.259 . . . . 0.0 111.221 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -101.88 152.06 21.35 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.72 152.26 82.9 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 122.645 0.378 . . . . 0.0 109.987 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.83 153.94 58.72 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 123.096 2.531 . . . . 0.0 110.581 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.87 -14.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.078 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.19 154.63 19.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.442 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 t -160.08 164.58 32.97 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -118.5 -2.99 10.94 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.689 0.796 . . . . 0.0 110.641 174.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -80.09 122.27 82.85 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 123.581 0.752 . . . . 0.0 109.144 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -72.25 -18.42 26.78 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.195 2.597 . . . . 0.0 111.729 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -85.67 -1.33 57.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.54 156.26 41.1 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.415 0.686 . . . . 0.0 112.028 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -111.82 -178.74 3.51 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.972 0.909 . . . . 0.0 110.663 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.31 173.59 13.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 123.816 0.847 . . . . 0.0 112.158 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -58.82 146.72 36.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.159 0.584 . . . . 0.0 110.958 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.7 65.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.889 -175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.8 -9.34 56.05 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 118.299 0.5 . . . . 0.0 111.366 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.439 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.97 -10.43 12.9 Favored 'General case' 0 C--O 1.227 -0.087 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -61.43 134.51 56.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.88 0.372 . . . . 0.0 110.04 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.38 2.89 85.24 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.818 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 mtm105 -131.45 -41.18 1.09 Allowed 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.395 1.098 . . . . 0.0 112.226 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.439 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -84.68 137.08 33.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -155.65 149.21 25.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.52 0.2 . . . . 0.0 110.735 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.0 mt -102.0 144.52 30.5 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.858 -0.155 . . . . 0.0 110.669 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.6 mt -119.97 173.19 7.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.783 0.833 . . . . 0.0 110.599 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.9 174.74 43.04 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.33 123.55 34.18 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.7 pt -68.92 -22.39 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 122.568 0.347 . . . . 0.0 110.957 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -82.6 -13.13 57.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.128 0.422 . . . . 0.0 110.867 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 t -94.77 12.6 27.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.476 0.71 . . . . 0.0 109.83 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 60.19 27.33 16.81 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.123 0.969 . . . . 0.0 112.95 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -78.3 143.54 36.89 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.2 p -127.89 10.0 6.43 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.961 0.504 . . . . 0.0 111.32 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -44.73 133.18 6.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.759 0.824 . . . . 0.0 111.599 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -116.77 146.47 42.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.613 0.765 . . . . 0.0 109.051 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -135.01 134.45 40.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.42 133.48 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -113.27 143.96 43.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.146 0.579 . . . . 0.0 109.812 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 46.88 53.12 10.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.92 25.0 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.661 0.267 . . . . 0.0 111.675 -173.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -118.67 162.63 18.1 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.847 0.859 . . . . 0.0 109.232 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.23 -22.04 66.61 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.13 -0.356 . . . . 0.0 111.332 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -82.32 -13.86 56.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.732 0.413 . . . . 0.0 111.496 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.16 -10.83 60.3 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.594 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.4 tttt -63.89 134.27 54.84 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.985 0.914 . . . . 0.0 109.124 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.03 -150.01 21.56 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.4 m -141.96 156.4 45.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.044 0.538 . . . . 0.0 110.429 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -148.61 167.24 25.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -174.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -145.01 158.02 43.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 30.5 t80 -92.92 154.19 18.34 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -129.8 134.41 47.55 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.631 0.373 . . . . 0.0 110.242 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.0 tp -106.86 145.14 32.52 Favored 'General case' 0 C--O 1.227 -0.088 0 C-N-CA 124.0 0.92 . . . . 0.0 110.509 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -150.21 119.6 6.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.033 0.533 . . . . 0.0 109.823 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -153.75 131.51 11.56 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.26 47.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 m -84.36 -0.16 51.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 117.032 0.416 . . . . 0.0 111.427 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -96.98 139.16 33.42 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.211 0.604 . . . . 0.0 112.036 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -142.79 142.62 31.92 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.732 1.213 . . . . 0.0 109.121 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.44 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.5 t-105 -152.97 154.96 36.05 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.3 p -128.61 132.78 48.17 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.958 0.503 . . . . 0.0 110.018 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.285 80.8 m-85 -82.79 63.81 7.09 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -140.66 161.04 38.7 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.397 0.679 . . . . 0.0 109.364 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.7 p -62.5 152.14 35.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.571 0.349 . . . . 0.0 111.554 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -147.18 -167.35 2.75 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.304 1.042 . . . . 0.0 110.633 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.828 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.3 mm? -60.39 -34.99 74.7 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.691 0.796 . . . . 0.0 112.391 -173.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -136.25 5.45 3.0 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.13 0.572 . . . . 0.0 110.816 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.282 17.7 t80 -124.4 147.5 48.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -174.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -146.33 143.13 28.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.675 0.274 . . . . 0.0 110.69 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.1 t -157.56 162.25 38.78 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.235 0.614 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.96 170.0 17.34 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.046 0.539 . . . . 0.0 110.996 -179.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -140.12 167.28 22.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.762 0.825 . . . . 0.0 110.199 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.3 tp -100.48 127.15 46.91 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.4 t -105.96 142.53 35.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.0 t -126.0 136.32 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.763 0.425 . . . . 0.0 109.964 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.594 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.8 m-85 -125.0 147.35 48.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.1 t -135.98 143.36 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.68 146.06 49.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.4 140.31 58.86 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.082 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 138' ' ' THR . 1.1 tm? -71.54 123.97 23.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.404 ' N ' HD13 ' A' ' 137' ' ' LEU . 11.3 t -147.74 -25.53 0.36 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -153.54 138.49 17.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.528 1.131 . . . . 0.0 109.537 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 62.51 -174.08 8.33 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-O 121.148 0.304 . . . . 0.0 113.407 177.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 85.3 p -160.03 154.47 23.8 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.023 0.929 . . . . 0.0 108.938 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 tt -79.62 -52.52 7.88 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 122.328 -0.232 . . . . 0.0 111.257 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.3 t 59.81 127.75 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -70.26 154.54 65.68 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.781 2.321 . . . . 0.0 110.603 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 117.149 -1.405 . . . . 0.0 110.598 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pm0 -66.11 152.95 43.62 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.784 0.433 . . . . 0.0 110.598 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.54 1.19 88.33 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.416 0.532 . . . . 0.0 112.788 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -68.29 -6.38 23.64 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -159.28 168.28 26.83 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 123.448 0.699 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -103.15 163.8 12.01 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 59.6 t80 -60.55 133.55 56.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 115.859 1.799 . . . . 0.0 115.859 -173.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 78.61 7.03 88.28 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 119.784 -0.453 . . . . 0.0 113.344 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.0 147.24 53.83 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.359 1.079 . . . . 0.0 111.155 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 -16.44 18.53 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.102 0.858 . . . . 0.0 113.048 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.65 116.1 21.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.314 1.057 . . . . 0.0 112.438 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.8 mt -137.14 151.99 49.45 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 122.885 0.474 . . . . 0.0 110.472 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -148.53 147.84 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -129.94 127.37 39.95 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.3 p -157.69 156.26 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.163 0.585 . . . . 0.0 110.517 -176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.45 118.6 9.65 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -70.69 -17.53 62.84 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -174.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -152.24 123.07 7.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.097 0.408 . . . . 0.0 110.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.74 148.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 124.482 1.113 . . . . 0.0 108.183 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.87 140.83 42.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 177.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -152.65 153.77 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.852 0.461 . . . . 0.0 110.869 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -86.68 156.22 20.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.0 140.27 55.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.139 -0.35 . . . . 0.0 110.409 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.02 6.09 65.44 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.626 -1.096 . . . . 0.0 114.754 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.05 174.58 10.92 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.294 1.547 . . . . 0.0 111.498 176.172 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -91.96 167.77 11.88 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.87 154.89 6.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 124.642 1.177 . . . . 0.0 109.404 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -118.78 141.12 48.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.391 0.677 . . . . 0.0 110.06 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.8 t -134.59 88.78 28.01 Favored Pre-proline 0 N--CA 1.458 -0.074 0 C-N-CA 123.731 0.812 . . . . 0.0 110.923 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.6 141.14 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 122.962 2.441 . . . . 0.0 111.302 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HB3' HG23 ' A' ' 15' ' ' VAL . 17.0 p -161.63 166.49 26.75 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.767 0.318 . . . . 0.0 111.35 178.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.5 p -153.64 168.2 27.02 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -137.98 170.26 16.36 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.9 t -147.61 149.79 33.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.795 0.838 . . . . 0.0 110.059 177.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -152.84 155.96 32.62 Favored Pre-proline 0 C--O 1.234 0.239 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.78 159.92 51.75 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.24 2.626 . . . . 0.0 109.986 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.5 tt0 -77.62 -0.82 28.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.899 0.48 . . . . 0.0 112.036 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.58 126.24 28.7 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.41 68.39 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.097 -0.835 . . . . 0.0 114.323 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -151.3 167.55 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.951 1.376 . . . . 0.0 112.532 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.29 165.85 20.61 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.89 -7.54 5.33 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 115.219 1.562 . . . . 0.0 115.219 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -109.72 -3.84 16.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.76 0.424 . . . . 0.0 111.934 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.0 146.01 84.41 Favored Pre-proline 0 N--CA 1.454 -0.275 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.07 159.95 48.74 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.705 2.937 . . . . 0.0 110.04 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.83 141.62 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.67 0.388 . . . . 0.0 110.311 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -149.25 170.54 18.24 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 124.524 1.13 . . . . 0.0 110.493 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.71 162.84 28.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -151.68 175.41 12.41 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -174.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -136.72 150.53 48.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.322 1.049 . . . . 0.0 111.812 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.84 153.05 41.2 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -75.19 136.72 41.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.08 134.43 55.84 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.044 0.45 . . . . 0.0 110.736 -175.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.75 -4.8 85.98 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-O 119.003 -0.887 . . . . 0.0 114.055 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -84.32 -178.14 6.84 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.172 1.486 . . . . 0.0 108.439 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -110.64 108.48 58.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.45 -12.69 22.77 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.648 2.899 . . . . 0.0 113.19 -171.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.294 15.5 p90 -96.79 1.79 51.16 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -134.38 12.69 3.83 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -153.13 162.23 41.55 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.41 151.21 85.31 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.269 0.628 . . . . 0.0 111.151 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.96 158.02 46.52 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.444 2.763 . . . . 0.0 110.456 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -84.79 -15.16 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.98 155.29 23.08 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.098 0.959 . . . . 0.0 109.617 175.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -161.17 165.96 28.63 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-O 120.85 0.357 . . . . 0.0 111.624 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -121.27 0.33 10.05 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.602 0.761 . . . . 0.0 110.807 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -75.65 126.47 87.29 Favored Pre-proline 0 N--CA 1.451 -0.417 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.91 -18.14 41.21 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.548 2.832 . . . . 0.0 112.876 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.56 -15.23 18.7 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -85.48 152.36 23.25 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.046 0.538 . . . . 0.0 110.998 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -116.12 176.98 4.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.338 0.655 . . . . 0.0 109.54 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.08 172.45 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -58.52 146.82 34.18 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.072 0.549 . . . . 0.0 111.079 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.24 65.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.586 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -82.1 -8.4 59.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.94 0.337 . . . . 0.0 110.993 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.4 p -123.59 -0.65 8.61 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -61.14 128.91 38.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.31 2.58 59.58 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 119.444 -0.642 . . . . 0.0 113.342 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -121.63 -29.64 4.34 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.506 1.153 . . . . 0.0 112.122 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -97.75 138.63 34.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.8 153.47 28.36 Favored 'General case' 0 N--CA 1.458 -0.067 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -108.41 145.07 35.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.483 0.313 . . . . 0.0 110.256 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.51 168.84 10.3 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.065 0.946 . . . . 0.0 110.301 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.53 174.57 46.41 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.35 138.7 31.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.32 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 C-N-CA 122.563 0.345 . . . . 0.0 110.985 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -83.22 -13.2 55.83 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.842 0.457 . . . . 0.0 111.332 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.4 t -91.76 7.56 41.17 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.214 0.605 . . . . 0.0 110.556 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 57.91 27.75 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.044 0.937 . . . . 0.0 112.453 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -78.52 142.78 37.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -127.87 8.38 6.25 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.083 0.553 . . . . 0.0 111.523 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -44.43 116.99 1.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.172 0.989 . . . . 0.0 111.653 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.3 tp -95.04 145.99 24.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.358 0.663 . . . . 0.0 109.598 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -134.87 133.52 39.77 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.87 132.28 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -113.76 140.93 47.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.767 0.827 . . . . 0.0 109.873 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 47.37 56.19 7.27 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.09 149.93 18.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -135.09 163.57 29.61 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.796 0.838 . . . . 0.0 109.608 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.57 -21.46 60.35 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -80.19 -12.77 59.61 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -75.93 -12.04 60.07 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.13 -0.356 . . . . 0.0 110.901 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.598 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -64.99 132.29 48.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.142 0.577 . . . . 0.0 109.481 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.87 -149.58 21.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.3 m -141.29 154.38 45.7 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.956 0.502 . . . . 0.0 110.936 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -147.77 167.41 24.77 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -144.52 160.23 41.46 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -94.82 154.41 17.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.96 135.06 47.88 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.764 0.425 . . . . 0.0 110.584 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.99 145.37 31.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.418 1.087 . . . . 0.0 110.37 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -150.59 120.13 6.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -153.6 130.33 10.82 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.87 -139.86 45.15 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.5 m -81.5 -4.71 56.7 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.356 -0.496 . . . . 0.0 111.55 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.0 ttp -88.89 139.02 30.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.705 0.802 . . . . 0.0 112.22 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 146.46 34.06 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 173.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.5 t-105 -156.27 151.16 26.15 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.805 0.275 . . . . 0.0 110.821 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.5 m -121.5 129.25 52.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.086 0.554 . . . . 0.0 110.022 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.284 76.4 m-85 -82.73 64.94 7.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.16 159.07 42.98 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.591 0.356 . . . . 0.0 110.128 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.4 p -63.85 153.29 37.2 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.121 0.486 . . . . 0.0 111.92 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -143.9 -165.89 2.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.661 1.184 . . . . 0.0 110.366 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.842 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.9 mm? -52.71 -26.19 13.29 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.632 1.173 . . . . 0.0 112.273 -174.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -154.2 -25.95 0.13 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.32 0.648 . . . . 0.0 111.982 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -74.73 148.5 40.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 173.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -146.35 154.03 41.2 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.136 0.493 . . . . 0.0 111.153 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -164.63 153.18 12.57 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.54 169.57 13.92 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.152 0.501 . . . . 0.0 110.888 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -137.0 166.52 23.47 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.889 0.875 . . . . 0.0 110.739 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.59 126.34 47.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.453 0.701 . . . . 0.0 109.401 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.7 t -105.25 143.14 33.84 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -127.99 140.59 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 122.852 0.461 . . . . 0.0 109.923 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.598 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.2 m-85 -129.05 148.29 50.99 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.004 0.522 . . . . 0.0 111.759 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -135.46 143.99 46.19 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 105.486 -2.042 . . . . 0.0 105.486 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.18 139.67 58.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.12 123.35 21.94 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -145.23 -20.57 0.49 Allowed 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -161.53 141.71 10.62 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.539 0.736 . . . . 0.0 109.451 175.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.9 -177.34 8.38 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.172 0.415 . . . . 0.0 113.05 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.1 p -162.32 155.96 20.85 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 124.199 1.0 . . . . 0.0 109.474 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 142' ' ' LEU . 8.5 tt -79.07 -59.25 2.85 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.219 -0.301 . . . . 0.0 111.26 -178.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 49.81 99.95 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.74 143.28 70.85 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.712 2.941 . . . . 0.0 112.102 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 117.279 -1.343 . . . . 0.0 110.29 -178.841 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.519 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 42.2 tp10 -67.23 144.72 55.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.504 0.322 . . . . 0.0 110.624 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.13 -8.3 58.35 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.939 -0.367 . . . . 0.0 113.172 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.519 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 72.2 m-20 -74.06 -3.89 32.19 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -155.11 -178.63 7.39 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 123.227 0.611 . . . . 0.0 110.053 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -145.68 166.05 26.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.662 0.785 . . . . 0.0 109.503 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.275 45.9 t80 -55.18 139.26 42.59 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -173.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 78.73 4.78 88.25 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.19 -178.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.27 143.56 52.46 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.241 1.021 . . . . 0.0 113.188 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.67 -15.03 54.07 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 123.839 0.733 . . . . 0.0 112.725 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -86.33 119.77 26.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.034 0.917 . . . . 0.0 112.479 174.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -136.08 158.6 44.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.667 0.27 . . . . 0.0 110.678 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -144.58 147.49 33.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.699 0.8 . . . . 0.0 109.687 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -131.64 114.08 14.37 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -154.16 153.83 7.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 123.018 0.527 . . . . 0.0 110.663 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -66.7 118.65 10.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.92 -18.14 64.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.52 125.56 7.89 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.328 0.513 . . . . 0.0 110.14 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.39 150.69 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.58 142.89 43.39 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 177.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.24 155.74 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.916 0.486 . . . . 0.0 110.969 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.427 ' HB2' HD11 ' A' ' 25' ' ' LEU . 36.7 mt-30 -90.07 154.81 19.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.21 142.86 56.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.195 -0.315 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.24 3.85 72.07 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.911 -0.938 . . . . 0.0 114.946 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.6 176.07 9.89 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.259 1.53 . . . . 0.0 111.878 176.423 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -91.58 170.11 10.2 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -169.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.52 154.74 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 124.59 1.156 . . . . 0.0 108.936 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -119.91 139.44 52.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.225 0.61 . . . . 0.0 109.729 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.7 t -134.08 89.79 27.89 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.004 0.922 . . . . 0.0 111.228 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.8 143.59 46.24 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.148 2.565 . . . . 0.0 110.822 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 p -161.1 167.0 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 111.005 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.0 t -152.59 169.47 22.59 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.387 0.675 . . . . 0.0 110.404 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.46 169.97 16.67 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -146.3 149.5 33.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -153.52 156.39 32.31 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -172.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.32 157.78 60.37 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.357 2.705 . . . . 0.0 109.805 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -82.19 -2.31 51.87 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -70.05 133.62 47.4 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.67 2.12 79.43 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.242 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.429 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -148.88 163.95 35.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.15 1.475 . . . . 0.0 112.461 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.72 166.58 17.88 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 176.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -64.53 -19.58 65.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -88.36 -9.9 51.16 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.779 0.432 . . . . 0.0 112.129 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -76.58 147.74 78.89 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.59 160.62 47.8 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.776 2.984 . . . . 0.0 110.267 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.74 146.08 21.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -147.79 164.66 32.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.571 1.149 . . . . 0.0 109.891 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.84 155.15 24.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -148.28 169.96 18.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -137.47 147.09 45.03 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.458 1.103 . . . . 0.0 111.365 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -144.57 151.83 39.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.82 0.448 . . . . 0.0 111.662 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -70.86 145.64 50.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.45 136.44 53.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.096 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.21 -7.58 81.76 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-O 119.4 -0.667 . . . . 0.0 112.749 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -69.55 164.63 22.79 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -113.81 97.52 44.75 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -57.23 -23.62 54.85 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 123.746 2.964 . . . . 0.0 114.449 -171.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.281 15.1 p90 -87.44 -2.29 58.52 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 116.898 2.184 . . . . 0.0 116.898 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -134.46 -26.67 1.41 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.495 0.318 . . . . 0.0 111.536 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -89.22 158.39 17.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.399 0.68 . . . . 0.0 111.855 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.89 145.14 49.27 Favored Pre-proline 0 C--O 1.233 0.23 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.09 155.41 52.35 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.013 2.475 . . . . 0.0 110.019 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 122.247 -0.283 . . . . 0.0 111.395 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.55 152.42 12.06 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.301 1.04 . . . . 0.0 108.85 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.5 t -161.73 154.91 20.86 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.847 -0.533 . . . . 0.0 112.374 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -92.02 -10.86 37.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.635 0.774 . . . . 0.0 111.023 173.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -71.96 121.94 85.94 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.14 -18.01 27.51 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.476 2.784 . . . . 0.0 112.479 -176.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -99.2 -14.76 19.17 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -92.46 134.98 34.44 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.647 0.379 . . . . 0.0 110.274 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -84.27 -179.67 7.25 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.922 0.489 . . . . 0.0 110.25 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.73 173.15 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 123.316 0.647 . . . . 0.0 111.803 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.64 144.3 43.61 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.564 0.346 . . . . 0.0 111.002 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.04 66.26 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.16 -9.12 58.82 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.019 0.372 . . . . 0.0 111.403 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -115.23 0.38 13.5 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.16 123.58 17.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.42 -4.71 32.72 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.088 -0.84 . . . . 0.0 113.82 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mtm105 -107.67 -30.17 8.72 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.786 1.293 . . . . 0.0 111.83 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -93.54 142.35 27.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.66 147.42 21.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 mt -102.18 144.4 30.77 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.8 mt -118.23 176.53 5.18 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.853 0.861 . . . . 0.0 110.233 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.23 -150.11 33.22 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -140.88 130.29 23.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.45 -29.73 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.936 0.495 . . . . 0.0 111.496 -177.097 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -79.92 -4.07 50.83 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.794 0.438 . . . . 0.0 110.645 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -109.69 13.84 23.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.284 1.034 . . . . 0.0 110.02 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 59.09 21.64 9.63 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.49 1.116 . . . . 0.0 113.537 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -82.95 141.99 31.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.01 11.52 8.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.044 0.537 . . . . 0.0 111.883 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.5 m -45.19 134.43 6.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.491 0.716 . . . . 0.0 112.174 -171.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.6 tp -118.1 149.02 41.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.027 0.931 . . . . 0.0 109.072 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -139.78 135.41 33.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 122.501 0.32 . . . . 0.0 110.4 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.19 132.27 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -112.7 141.82 46.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.35 0.66 . . . . 0.0 109.589 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 48.03 55.02 9.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.65 150.07 16.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 112.004 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -135.0 164.01 28.59 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.238 1.015 . . . . 0.0 109.553 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.18 -20.19 57.5 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.9 -17.96 58.61 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.018 0.372 . . . . 0.0 111.886 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -72.72 -13.11 61.26 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.1 tttt -65.88 128.88 37.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 109.7 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.82 -151.14 22.68 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.5 m -140.59 153.9 46.28 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.913 0.485 . . . . 0.0 110.848 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -148.34 165.95 29.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.19 156.93 45.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.033 0.533 . . . . 0.0 111.071 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -88.0 154.72 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -136.69 132.88 35.51 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.056 0.389 . . . . 0.0 110.824 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.3 tp -104.06 146.36 28.83 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.168 0.987 . . . . 0.0 110.165 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -150.13 121.27 7.76 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -153.89 131.19 11.21 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 123.631 0.772 . . . . 0.0 109.244 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.1 -138.89 49.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.6 p -84.78 -9.08 58.52 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 117.445 0.623 . . . . 0.0 110.654 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.7 ttp -86.11 138.68 31.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.853 0.861 . . . . 0.0 111.637 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -154.51 149.73 27.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.4 t-105 -154.76 139.04 16.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.394 0.14 . . . . 0.0 111.335 -174.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.7 p -101.13 130.11 47.13 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.008 0.523 . . . . 0.0 109.684 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.271 79.3 m-85 -82.87 61.28 5.83 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -137.99 160.29 39.74 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.019 0.528 . . . . 0.0 110.17 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t -64.93 152.65 42.64 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.977 0.511 . . . . 0.0 111.318 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -145.95 -166.1 2.37 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.03 0.932 . . . . 0.0 110.558 -174.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -46.0 -33.03 3.1 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.706 1.202 . . . . 0.0 113.433 -176.366 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -151.45 -21.28 0.2 Allowed 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 122.821 0.448 . . . . 0.0 112.097 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -68.76 146.8 52.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 172.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -145.98 139.03 25.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 117.776 0.262 . . . . 0.0 110.746 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.2 t -158.74 156.88 30.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.463 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -74.98 168.45 19.94 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.198 0.599 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -136.77 169.7 17.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.019 0.927 . . . . 0.0 110.319 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.19 120.45 39.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 142.8 30.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.08 139.92 50.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.8 m-85 -127.27 148.04 50.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.3 t -135.05 143.52 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 122.741 0.416 . . . . 0.0 111.753 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.77 144.93 46.07 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 140.91 58.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 138' ' ' THR . 1.0 OUTLIER -70.06 125.1 25.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.433 ' N ' HD13 ' A' ' 137' ' ' LEU . 7.1 t -146.61 -19.85 0.42 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -162.39 142.17 9.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.599 0.76 . . . . 0.0 109.63 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.98 -174.59 11.87 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.131 0.396 . . . . 0.0 113.501 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 80.4 p -159.61 155.51 26.35 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.302 1.041 . . . . 0.0 109.218 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.7 tt -81.79 -52.76 6.79 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.515 -0.279 . . . . 0.0 111.52 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 3.0 t 48.32 86.62 0.14 Allowed Pre-proline 0 N--CA 1.466 0.334 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.53 164.3 36.02 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.72 2.947 . . . . 0.0 111.585 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.887 -1.53 . . . . 0.0 111.811 177.472 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 ttp . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 120.751 0.31 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -65.31 145.42 56.23 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.897 0.479 . . . . 0.0 111.03 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.84 4.26 61.66 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 119.933 -0.371 . . . . 0.0 112.479 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.266 68.6 m-20 60.36 22.36 11.89 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -153.6 177.26 11.14 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.401 0.681 . . . . 0.0 110.22 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -124.23 166.05 16.54 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.85 0.46 . . . . 0.0 110.241 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 50.1 t80 -58.79 138.59 57.11 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 116.35 1.982 . . . . 0.0 116.35 -174.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 78.8 7.75 88.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 122.108 -0.37 . . . . 0.0 112.826 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.51 140.64 53.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.37 -14.29 46.43 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 123.613 0.625 . . . . 0.0 113.062 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -85.0 119.0 24.91 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.973 0.887 . . . . 0.0 113.146 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -138.85 151.02 46.65 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 118.054 0.388 . . . . 0.0 110.476 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.44 148.46 30.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.851 0.46 . . . . 0.0 109.767 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -128.76 128.01 43.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.158 0.583 . . . . 0.0 109.636 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -156.45 157.54 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 110.743 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.57 120.35 12.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mp0 -69.4 -21.82 63.74 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -153.3 125.1 7.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.024 0.375 . . . . 0.0 110.05 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 t -119.13 148.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.28 138.84 40.49 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.69 155.69 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 122.735 0.414 . . . . 0.0 111.615 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -89.45 156.96 18.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.46 145.44 54.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.151 -0.343 . . . . 0.0 110.929 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 5.89 68.61 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.082 -0.843 . . . . 0.0 114.758 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.6 171.69 14.34 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.114 1.457 . . . . 0.0 111.305 176.225 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.1 m -92.05 165.92 12.94 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -170.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.16 147.01 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 124.031 0.932 . . . . 0.0 109.681 175.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -109.56 140.48 43.31 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.791 0.836 . . . . 0.0 109.641 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -135.33 90.4 20.83 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 123.865 0.866 . . . . 0.0 111.571 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -66.26 148.86 85.26 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.176 2.584 . . . . 0.0 112.001 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 43.1 t -157.78 150.82 23.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.602 0.761 . . . . 0.0 110.927 -175.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -150.83 162.6 40.44 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.09 0.556 . . . . 0.0 110.858 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -139.68 170.5 15.78 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.4 t -147.55 145.63 29.14 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.79 0.836 . . . . 0.0 109.96 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -154.24 155.68 31.13 Favored Pre-proline 0 CA--C 1.529 0.146 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.58 155.69 67.62 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.108 2.539 . . . . 0.0 110.205 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.0 tt0 -80.94 -1.93 45.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.292 0.637 . . . . 0.0 112.26 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.5 141.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.54 90.59 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.849 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -151.22 166.14 31.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.938 1.369 . . . . 0.0 112.387 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.15 166.76 21.08 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.51 -11.98 19.57 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -98.26 -13.31 20.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.101 0.561 . . . . 0.0 111.76 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.08 146.26 89.73 Favored Pre-proline 0 N--CA 1.454 -0.252 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.41 161.88 44.15 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.75 2.967 . . . . 0.0 109.736 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.7 p -145.33 146.56 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.2 166.4 28.99 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.638 1.175 . . . . 0.0 110.253 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.66 158.49 27.68 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -150.79 168.51 24.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -133.41 146.96 51.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.63 1.172 . . . . 0.0 111.21 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -142.38 149.58 39.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -77.54 136.83 38.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.29 133.54 55.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.287 -176.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.43 -4.67 85.22 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 118.782 -1.01 . . . . 0.0 113.683 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -83.3 -173.13 4.53 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.507 1.653 . . . . 0.0 107.741 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -118.11 102.55 50.72 Favored Pre-proline 0 C--N 1.341 0.218 0 C-N-CA 122.811 0.444 . . . . 0.0 110.287 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.88 -13.33 38.16 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.911 2.407 . . . . 0.0 111.908 -174.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -82.98 -15.17 52.29 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -134.52 -17.33 2.01 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -92.02 158.55 16.17 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 122.746 0.419 . . . . 0.0 111.801 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.3 145.58 68.77 Favored Pre-proline 0 N--CA 1.45 -0.445 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.61 156.28 57.91 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.068 2.512 . . . . 0.0 109.788 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -80.96 -17.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.8 151.32 14.42 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.849 0.86 . . . . 0.0 109.184 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.0 t -161.58 165.75 27.97 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.576 0.351 . . . . 0.0 111.574 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.93 -1.59 12.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.571 0.748 . . . . 0.0 111.004 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -77.79 122.09 85.14 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.34 -19.09 38.58 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.378 2.719 . . . . 0.0 112.239 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -90.89 -11.02 40.45 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -105.31 132.59 51.31 Favored 'General case' 0 N--CA 1.458 -0.069 0 C-N-CA 122.942 0.497 . . . . 0.0 110.345 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -87.29 -178.84 6.29 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.749 0.419 . . . . 0.0 110.001 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.69 171.88 16.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.089 0.556 . . . . 0.0 112.496 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -58.83 144.86 42.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.904 0.482 . . . . 0.0 110.798 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.1 -23.79 65.87 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -84.7 -11.43 55.89 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.112 0.414 . . . . 0.0 111.083 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.446 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -113.34 -0.65 14.46 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.65 130.51 46.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.41 2.88 60.62 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.358 -0.69 . . . . 0.0 113.42 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -121.79 -35.41 3.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.366 1.083 . . . . 0.0 112.139 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.446 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.84 137.85 31.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 175.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.96 150.97 24.84 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.842 0.292 . . . . 0.0 110.68 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.4 mt -101.07 144.88 29.45 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -118.41 168.12 10.94 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.398 0.679 . . . . 0.0 110.089 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.96 175.14 41.47 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -95.53 134.14 38.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.14 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-O 120.744 0.306 . . . . 0.0 110.465 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -78.6 -13.05 60.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.359 0.664 . . . . 0.0 110.512 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -96.84 10.85 37.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.735 0.814 . . . . 0.0 109.741 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 60.53 25.8 15.46 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.544 1.137 . . . . 0.0 113.099 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -79.05 147.23 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 2.1 p -134.58 15.12 3.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.123 0.969 . . . . 0.0 111.299 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.3 m -52.54 133.02 36.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.321 0.649 . . . . 0.0 111.0 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -111.16 146.11 37.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.975 0.91 . . . . 0.0 108.745 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -136.55 137.11 39.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.6 mt -116.97 124.85 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -101.24 138.26 38.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.48 0.712 . . . . 0.0 109.747 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 46.07 59.45 3.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.8 150.61 12.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 120.959 0.409 . . . . 0.0 111.9 -174.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -137.0 166.37 23.82 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.072 0.949 . . . . 0.0 109.76 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.02 -17.76 54.02 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -75.38 -15.14 60.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -81.0 -12.85 59.29 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.553 0.341 . . . . 0.0 111.54 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.553 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 87.1 tttt -67.24 134.81 52.35 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.014 0.526 . . . . 0.0 109.672 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.47 -153.54 25.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.3 m -135.92 152.05 50.6 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.082 0.553 . . . . 0.0 110.456 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -145.64 165.99 27.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.65 157.18 44.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 23.4 t80 -96.84 154.62 17.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -133.14 133.14 42.47 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.755 0.422 . . . . 0.0 110.575 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.5 tp -105.67 146.38 29.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.049 0.94 . . . . 0.0 110.433 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -150.87 119.14 6.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.988 0.515 . . . . 0.0 109.64 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -153.1 132.42 12.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.74 -141.6 44.55 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -81.82 -3.89 55.09 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.447 -0.443 . . . . 0.0 111.432 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -92.45 142.36 27.51 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.4 0.619 . . . . 0.0 112.058 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.53 145.92 32.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.777 1.231 . . . . 0.0 107.868 174.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.3 t-105 -152.99 152.63 31.62 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-N 117.61 0.187 . . . . 0.0 110.961 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 t -120.61 130.16 54.05 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 123.028 0.531 . . . . 0.0 109.92 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.263 79.1 m-85 -87.26 66.64 9.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -144.01 157.8 44.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.4 p -64.23 152.18 41.57 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.916 0.388 . . . . 0.0 111.544 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -145.14 -166.42 2.42 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.021 0.928 . . . . 0.0 110.209 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.821 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.8 mm? -56.02 -28.14 56.09 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.759 0.824 . . . . 0.0 112.365 -174.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -140.84 -29.5 0.67 Allowed 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.232 0.613 . . . . 0.0 110.937 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -75.68 147.0 39.78 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -146.1 140.07 26.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.647 0.261 . . . . 0.0 111.115 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.4 t -160.43 166.05 29.95 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.728 0.811 . . . . 0.0 110.229 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -75.39 164.6 26.23 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.247 0.546 . . . . 0.0 112.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -140.4 159.09 42.96 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.579 1.152 . . . . 0.0 109.592 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.5 tp -100.7 128.72 46.64 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -108.17 142.84 37.79 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.63 141.72 45.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 35.0 m-85 -129.94 145.8 51.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.0 t -136.63 143.21 35.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 122.775 0.43 . . . . 0.0 111.908 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -134.87 146.33 49.12 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.99 141.38 58.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.522 0.201 . . . . 0.0 110.761 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.31 122.93 18.26 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.703 0.287 . . . . 0.0 110.439 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -148.23 11.21 0.91 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.021 0.928 . . . . 0.0 112.977 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -155.1 -179.12 7.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -60.91 154.9 35.32 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 79.5 p -66.97 151.83 46.9 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 122.51 -0.406 . . . . 0.0 111.406 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 tt -78.08 -44.63 25.7 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.302 -178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.4 t 59.81 122.7 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -70.83 163.58 38.62 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.197 2.598 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.001 178.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 ttp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -71.05 158.17 36.95 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.11 -2.87 54.75 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.541 0.591 . . . . 0.0 113.405 -176.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -72.27 -0.13 11.4 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -156.09 -175.34 5.38 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.562 0.745 . . . . 0.0 110.283 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -139.16 166.06 25.52 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.806 0.842 . . . . 0.0 109.398 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.276 53.1 t80 -55.92 139.8 44.91 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -173.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 80.62 3.27 90.21 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.726 -0.486 . . . . 0.0 113.203 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.75 140.93 46.03 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.19 -15.5 44.13 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.245 -0.753 . . . . 0.0 112.864 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -84.7 117.24 23.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.583 1.191 . . . . 0.0 112.637 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt -137.22 151.79 49.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.884 0.311 . . . . 0.0 110.662 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -148.62 146.98 28.45 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -130.76 128.31 40.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 31' ' ' CYS . 13.8 p -157.46 157.64 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.78 0.832 . . . . 0.0 110.101 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -65.79 118.05 9.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.89 -17.55 63.35 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.46 124.97 7.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.106 0.412 . . . . 0.0 110.091 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -120.91 148.68 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.2 1.0 . . . . 0.0 108.431 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.91 141.28 42.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.75 155.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 C-N-CA 122.85 0.46 . . . . 0.0 111.541 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HB2' HD11 ' A' ' 25' ' ' LEU . 71.7 mt-30 -87.69 157.94 18.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.37 175.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -71.9 140.66 49.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.212 -0.305 . . . . 0.0 110.504 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.87 4.46 65.17 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.851 -0.971 . . . . 0.0 114.642 175.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.69 174.81 10.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.029 1.414 . . . . 0.0 111.633 177.158 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -91.79 169.62 10.55 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.07 155.35 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 C-N-CA 124.784 1.234 . . . . 0.0 109.302 173.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -120.39 141.38 50.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.443 0.697 . . . . 0.0 110.239 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 t -134.71 88.53 28.08 Favored Pre-proline 0 CA--C 1.528 0.105 0 C-N-CA 123.651 0.78 . . . . 0.0 111.191 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -71.2 142.27 41.31 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.1 2.533 . . . . 0.0 111.319 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.9 p -161.96 166.89 25.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.36 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.8 p -153.79 170.55 20.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.902 0.481 . . . . 0.0 111.331 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.34 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -146.71 148.83 32.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.659 0.783 . . . . 0.0 110.087 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -154.6 156.63 31.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -67.08 157.84 59.74 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.305 2.67 . . . . 0.0 110.281 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.96 -2.21 46.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.198 0.599 . . . . 0.0 112.505 -176.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.52 133.27 47.48 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.26 2.58 79.97 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.341 -0.7 . . . . 0.0 114.361 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.4 p-90 -149.53 167.43 26.31 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 118.875 1.337 . . . . 0.0 112.299 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.22 167.13 18.92 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.56 -0.04 0.85 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.3 p -128.1 0.2 5.85 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.922 0.489 . . . . 0.0 112.307 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 92.0 m-20 -72.69 143.82 85.22 Favored Pre-proline 0 N--CA 1.454 -0.229 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 177.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 46.6 Cg_exo -59.28 157.36 30.88 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.258 2.639 . . . . 0.0 111.544 174.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 p -146.03 146.05 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -148.97 166.12 29.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.815 1.246 . . . . 0.0 110.112 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.81 156.44 26.89 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -148.95 169.22 21.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -135.2 147.88 49.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.637 1.175 . . . . 0.0 111.476 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -143.22 148.78 37.0 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -75.92 138.26 40.9 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.27 133.97 56.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.891 0.377 . . . . 0.0 110.455 -177.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.03 -0.68 89.37 Favored Glycine 0 CA--C 1.533 1.168 0 CA-C-O 119.065 -0.853 . . . . 0.0 113.534 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -83.84 -171.88 3.84 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.434 1.617 . . . . 0.0 107.266 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -123.6 98.28 40.74 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 122.82 0.448 . . . . 0.0 110.774 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -56.22 -19.73 28.72 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.305 2.67 . . . . 0.0 113.581 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -79.38 -15.44 57.87 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -134.52 -15.39 2.15 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.82 151.76 19.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.493 0.717 . . . . 0.0 112.144 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.8 148.29 79.01 Favored Pre-proline 0 N--CA 1.451 -0.381 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.66 154.58 59.52 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.884 2.389 . . . . 0.0 110.099 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -82.24 -16.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.99 153.79 14.6 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.063 0.945 . . . . 0.0 109.075 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -161.04 155.79 23.68 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -94.26 -12.73 27.54 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.812 0.845 . . . . 0.0 111.19 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -73.82 122.86 88.6 Favored Pre-proline 0 CA--C 1.534 0.355 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.68 -19.7 27.48 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.373 2.715 . . . . 0.0 112.418 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -95.35 -15.23 23.24 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -87.11 137.8 32.04 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.946 0.499 . . . . 0.0 110.426 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -89.98 179.69 5.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.05 0.54 . . . . 0.0 110.469 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.2 170.36 19.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 123.439 0.696 . . . . 0.0 111.381 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -58.44 146.3 35.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.791 0.436 . . . . 0.0 111.102 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.39 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.96 -10.04 51.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.302 0.501 . . . . 0.0 111.486 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -112.97 -9.14 13.63 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -59.37 132.55 54.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.636 0.374 . . . . 0.0 110.619 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.68 1.96 73.88 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.409 -0.662 . . . . 0.0 113.163 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -128.3 -35.03 2.02 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.277 1.039 . . . . 0.0 112.554 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -86.51 139.28 31.02 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -157.09 147.12 20.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.3 mt -102.27 144.56 30.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -118.29 169.74 9.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.709 0.804 . . . . 0.0 110.739 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.58 173.79 34.59 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -93.87 135.01 35.64 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.438 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -67.91 -26.5 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-O 120.556 0.217 . . . . 0.0 110.45 179.459 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -79.94 -11.86 59.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.358 0.663 . . . . 0.0 110.563 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -99.56 11.37 39.34 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.165 0.986 . . . . 0.0 110.208 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 59.41 25.37 14.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.198 0.999 . . . . 0.0 112.912 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.04 141.9 37.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -125.67 9.69 7.71 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.06 0.544 . . . . 0.0 111.104 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -46.52 132.65 10.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.81 0.844 . . . . 0.0 111.612 -172.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.2 tp -116.38 148.26 40.81 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.88 0.872 . . . . 0.0 109.052 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.7 t -138.05 136.36 36.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.6 124.81 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -101.97 142.18 33.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.235 0.614 . . . . 0.0 109.686 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 45.2 58.19 4.27 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.72 148.75 15.69 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -171.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -136.28 166.24 23.9 Favored 'General case' 0 N--CA 1.46 0.039 0 C-N-CA 123.683 0.793 . . . . 0.0 109.558 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -61.18 -16.36 43.9 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -72.65 -18.41 61.57 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.02 0.528 . . . . 0.0 111.979 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.39 -15.01 56.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.724 0.41 . . . . 0.0 111.809 -176.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.542 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.24 131.52 45.93 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.54 -149.69 21.59 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.3 m -141.08 153.96 45.71 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.246 0.619 . . . . 0.0 110.227 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -147.31 166.81 25.99 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -142.37 158.85 43.25 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.165 0.586 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 31.8 t80 -94.68 154.52 17.28 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -133.77 132.7 40.82 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.56 0.344 . . . . 0.0 110.26 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.8 tp -103.95 145.8 29.6 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.457 1.103 . . . . 0.0 110.307 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -151.61 119.81 6.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -152.93 131.86 12.51 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.677 0.791 . . . . 0.0 109.449 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.18 -138.51 48.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -175.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.1 p -84.51 -8.29 58.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.047 0.423 . . . . 0.0 110.747 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 40.2 ttp -88.12 142.03 28.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.869 0.867 . . . . 0.0 111.539 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -153.47 151.78 30.23 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.288 0.635 . . . . 0.0 109.625 170.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.461 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.2 t-105 -153.66 154.9 35.03 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -173.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.9 t -120.31 127.36 52.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.835 0.454 . . . . 0.0 110.024 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.274 79.2 m-85 -83.09 62.64 6.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -176.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -138.59 162.1 35.44 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.16 0.584 . . . . 0.0 109.653 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.6 p -64.07 151.4 43.17 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -145.04 -166.66 2.47 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.144 0.978 . . . . 0.0 110.717 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -47.65 -31.91 5.09 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.566 1.147 . . . . 0.0 113.236 -176.81 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -152.25 -22.32 0.18 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.793 0.437 . . . . 0.0 111.801 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -71.12 147.43 48.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -146.04 151.0 37.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.945 0.402 . . . . 0.0 110.903 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.9 t -163.01 156.7 20.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.543 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -73.0 169.75 16.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.096 0.474 . . . . 0.0 110.939 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -137.67 165.29 26.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.99 0.916 . . . . 0.0 110.544 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.48 124.29 45.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.7 t -102.91 143.01 33.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 54.3 t -128.21 140.64 48.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 C-N-CA 122.833 0.453 . . . . 0.0 109.959 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.542 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.3 m-85 -128.39 146.7 50.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.79 143.36 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.212 0.605 . . . . 0.0 111.49 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -132.5 140.15 48.23 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.19 141.59 58.72 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.35 119.86 12.9 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.893 0.477 . . . . 0.0 109.714 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -147.6 1.99 0.71 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -150.15 29.06 0.73 Allowed 'General case' 0 C--O 1.231 0.13 0 C-N-CA 122.807 0.443 . . . . 0.0 111.378 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 88.11 158.44 33.33 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.7 p -78.08 148.81 34.07 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.661 0.784 . . . . 0.0 111.617 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 tt -84.25 -45.13 13.19 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 122.882 0.473 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.6 t 51.29 78.35 0.4 Allowed Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.47 175.86 10.47 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.866 3.044 . . . . 0.0 110.772 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.6 mmt-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.161 -0.924 . . . . 0.0 111.283 -178.364 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.8 tpp . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -68.25 161.0 28.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.815 0.446 . . . . 0.0 111.555 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.65 -3.12 78.16 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.729 -0.484 . . . . 0.0 112.528 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.3 t0 54.83 37.03 27.85 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.818 0.818 . . . . 0.0 112.641 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 ptt-85 -157.52 166.32 33.26 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.564 0.746 . . . . 0.0 109.561 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -87.12 160.88 18.39 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.252 65.0 t80 -61.08 128.58 37.11 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -172.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 80.94 5.98 89.76 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 119.448 -0.64 . . . . 0.0 113.566 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.61 152.5 45.28 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.659 1.229 . . . . 0.0 108.428 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.92 -15.9 13.9 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.313 -0.715 . . . . 0.0 113.412 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.89 121.12 28.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.459 1.13 . . . . 0.0 110.562 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 mt -138.88 151.89 47.34 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.138 0.575 . . . . 0.0 110.325 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -148.46 148.62 30.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.782 0.433 . . . . 0.0 110.042 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -130.84 126.44 36.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.491 ' H ' ' HE3' ' A' ' 128' ' ' LYS . 11.0 p -157.58 157.63 3.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 123.597 0.759 . . . . 0.0 110.846 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.61 119.66 12.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -68.35 -20.68 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.22 124.64 7.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.984 0.357 . . . . 0.0 110.282 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.16 147.2 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.462 1.105 . . . . 0.0 108.408 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.23 139.79 39.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -154.74 155.49 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 122.865 0.466 . . . . 0.0 111.38 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -84.96 158.7 20.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.026 -0.422 . . . . 0.0 110.104 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.27 143.33 48.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.28 0.232 . . . . 0.0 111.072 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.67 5.48 66.66 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.066 -0.852 . . . . 0.0 114.924 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.12 173.93 11.49 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.81 1.305 . . . . 0.0 111.302 177.007 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -91.98 167.12 12.33 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -170.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.61 155.96 5.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.345 1.058 . . . . 0.0 109.232 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -120.5 140.87 50.8 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.741 0.816 . . . . 0.0 110.296 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.41 88.34 30.09 Favored Pre-proline 0 C--N 1.333 -0.139 0 C-N-CA 123.898 0.879 . . . . 0.0 110.915 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.76 141.89 50.88 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.119 2.546 . . . . 0.0 111.285 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.8 p -162.95 166.95 23.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 111.206 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.2 p -154.03 169.62 23.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.009 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -138.01 168.88 18.8 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -147.38 149.56 33.0 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.475 0.71 . . . . 0.0 110.226 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -153.28 156.53 32.59 Favored Pre-proline 0 CA--C 1.53 0.195 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -174.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.66 154.44 74.41 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.274 2.649 . . . . 0.0 109.922 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -79.16 -0.67 32.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.784 0.434 . . . . 0.0 112.022 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.25 129.9 40.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.52 4.54 70.38 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.23 -0.761 . . . . 0.0 114.271 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -151.14 165.86 32.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.626 1.213 . . . . 0.0 112.782 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.21 166.96 19.99 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -62.46 -13.83 34.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -92.43 -12.3 32.51 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.003 0.521 . . . . 0.0 111.617 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.07 156.17 91.04 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.65 173.07 14.99 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 124.012 3.142 . . . . 0.0 110.697 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.14 143.0 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 123.021 0.528 . . . . 0.0 110.943 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -149.61 163.88 36.67 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.776 0.83 . . . . 0.0 110.822 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.52 156.78 26.4 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -151.44 174.42 13.39 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -138.96 147.82 42.71 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.158 0.983 . . . . 0.0 112.141 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -142.84 150.77 40.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -76.53 136.35 39.3 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.87 136.99 57.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 122.077 -0.389 . . . . 0.0 110.661 -176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.33 -8.36 77.26 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.869 -0.961 . . . . 0.0 113.888 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 p30 -84.14 -171.36 3.56 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.51 1.655 . . . . 0.0 107.935 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HD3' ' CE1' ' A' ' 58' ' ' TYR . 41.1 ttm180 -128.58 116.17 19.61 Favored Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 177.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.56 -18.27 22.78 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.632 2.888 . . . . 0.0 114.782 -168.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.47 ' CE1' ' HD3' ' A' ' 56' ' ' ARG 0.326 15.5 p90 -90.93 3.1 55.51 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 117.241 2.311 . . . . 0.0 117.241 -178.009 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -134.43 10.14 3.74 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -151.37 161.47 42.65 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.82 153.0 83.05 Favored Pre-proline 0 N--CA 1.453 -0.276 0 C-N-CA 123.095 0.558 . . . . 0.0 111.588 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.41 159.36 43.42 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 123.439 2.759 . . . . 0.0 110.387 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.54 -15.62 10.92 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.17 18.34 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.009 0.924 . . . . 0.0 109.412 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -161.45 162.62 30.59 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.678 0.275 . . . . 0.0 111.215 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -112.95 -1.54 14.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.376 0.67 . . . . 0.0 110.729 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -73.61 128.46 87.0 Favored Pre-proline 0 N--CA 1.452 -0.369 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.57 -17.4 38.46 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.564 2.843 . . . . 0.0 112.997 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -108.75 -15.61 14.36 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -177.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -80.16 141.33 35.79 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.567 0.347 . . . . 0.0 110.09 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -89.42 -178.84 5.7 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.787 0.435 . . . . 0.0 110.67 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.97 169.34 16.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 123.756 0.823 . . . . 0.0 111.242 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -58.6 147.29 32.95 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.143 0.577 . . . . 0.0 111.519 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.7 63.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -87.41 -9.19 55.39 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.054 0.388 . . . . 0.0 111.091 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.81 -6.54 11.04 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -58.6 135.01 57.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 110.933 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 4.16 69.71 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.171 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -129.67 -39.43 1.45 Allowed 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.631 1.215 . . . . 0.0 112.688 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -80.05 138.14 36.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -156.73 153.24 28.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.406 0.282 . . . . 0.0 110.54 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.4 mt -108.4 144.27 36.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.656 0.382 . . . . 0.0 110.236 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.3 mt -119.1 170.64 8.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.17 0.988 . . . . 0.0 110.557 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.99 171.67 38.04 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.65 128.21 34.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.8 pt -71.32 -21.23 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -85.06 2.01 45.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.056 0.542 . . . . 0.0 111.213 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -119.49 15.6 12.91 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.028 0.931 . . . . 0.0 110.056 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 59.26 26.88 15.78 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.417 1.087 . . . . 0.0 113.587 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.25 140.36 38.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.6 p -127.41 8.63 6.53 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.104 0.562 . . . . 0.0 111.615 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.0 m -44.48 114.01 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.271 1.028 . . . . 0.0 111.665 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.1 tp -90.69 145.12 25.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -135.13 135.59 41.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 172.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.28 125.08 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -102.49 142.05 34.32 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 45.08 58.53 4.01 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.9 149.81 14.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -134.79 165.7 24.68 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 124.055 0.942 . . . . 0.0 109.302 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.19 -16.99 50.71 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -73.37 -16.88 61.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.565 0.746 . . . . 0.0 112.006 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -84.15 -12.14 55.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.023 0.529 . . . . 0.0 112.214 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.78 133.7 49.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.83 -151.91 23.83 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.5 m -139.78 152.92 46.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.209 0.603 . . . . 0.0 110.138 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -147.36 166.89 25.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -143.91 158.39 43.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.26 21.3 t80 -91.05 154.36 19.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -135.0 144.96 47.66 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 122.626 0.37 . . . . 0.0 110.058 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.9 tp -122.37 144.56 48.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -133.76 125.33 28.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 112' ' ' ARG . 15.0 tpt180 -152.61 114.02 4.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.51 -137.65 45.11 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 m -79.95 -4.71 53.6 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.753 0.277 . . . . 0.0 111.71 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 61.2 ttp -91.97 144.94 24.94 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.367 0.667 . . . . 0.0 111.621 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 148.71 39.1 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 173.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.409 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 69.6 t-105 -156.24 155.75 32.9 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-O 120.431 0.158 . . . . 0.0 110.975 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.3 p -128.17 130.35 47.91 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.227 0.611 . . . . 0.0 110.223 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.276 79.6 m-85 -83.16 56.8 3.65 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -129.88 152.08 49.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.022 0.529 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.4 m -65.64 153.16 42.41 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.876 0.47 . . . . 0.0 111.646 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -144.85 -166.09 2.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.98 0.912 . . . . 0.0 110.783 -175.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.863 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.7 mm? -52.01 -26.96 11.92 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.425 1.09 . . . . 0.0 112.494 -174.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -152.98 -23.34 0.15 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.022 0.529 . . . . 0.0 111.973 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -72.56 146.76 46.5 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -145.47 137.84 25.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.917 0.326 . . . . 0.0 111.478 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.1 t -161.51 154.08 20.27 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.717 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.491 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 62.8 pttt -80.8 169.36 17.69 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.128 0.49 . . . . 0.0 110.711 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -133.99 168.75 18.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.594 0.758 . . . . 0.0 111.293 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.54 134.32 43.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.76 0.824 . . . . 0.0 109.033 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.63 143.03 45.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.9 t -127.89 139.21 52.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.2 m-85 -127.78 146.01 50.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.13 143.51 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.006 0.522 . . . . 0.0 111.177 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -133.15 143.41 49.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.79 140.36 56.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.975 0.417 . . . . 0.0 110.119 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.03 122.93 18.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -147.32 11.44 1.02 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.104 0.962 . . . . 0.0 113.27 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -155.08 179.08 9.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.307 1.043 . . . . 0.0 108.66 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.65 153.89 39.83 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.3 p -70.38 153.31 43.14 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.228 0.611 . . . . 0.0 111.534 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.8 tt -78.32 -45.16 23.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.523 0.729 . . . . 0.0 111.647 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.7 t 49.29 86.04 0.16 Allowed Pre-proline 0 CA--C 1.532 0.276 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.8 146.49 72.53 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.035 2.49 . . . . 0.0 110.801 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.558 -1.21 . . . . 0.0 111.442 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.625 0.25 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -62.86 153.86 31.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.405 0.682 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.87 -6.38 81.95 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.746 -0.474 . . . . 0.0 112.898 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -72.13 -6.22 41.05 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -158.45 179.58 9.0 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.202 1.001 . . . . 0.0 110.301 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -136.38 166.36 23.66 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.726 0.81 . . . . 0.0 109.081 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -52.63 124.43 13.71 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -172.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.13 1.44 89.98 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.693 -0.504 . . . . 0.0 113.97 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -66.45 151.89 46.27 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.656 1.228 . . . . 0.0 108.793 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.65 13.86 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.741 0.686 . . . . 0.0 112.836 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -84.54 120.76 26.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.235 1.017 . . . . 0.0 112.837 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.6 mt -140.03 152.36 46.18 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.595 0.358 . . . . 0.0 110.29 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.75 146.75 28.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -130.06 126.5 37.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.958 0.503 . . . . 0.0 109.695 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -156.98 156.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.586 0.754 . . . . 0.0 110.507 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.76 117.43 7.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -67.54 -19.33 65.28 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 tp -153.53 125.23 7.7 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.116 0.416 . . . . 0.0 109.895 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -120.73 147.58 24.45 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 124.483 1.113 . . . . 0.0 108.258 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.23 140.56 41.76 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -155.57 154.03 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 122.561 0.344 . . . . 0.0 111.683 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -84.93 157.88 20.71 Favored 'General case' 0 CA--C 1.529 0.143 0 O-C-N 121.838 -0.539 . . . . 0.0 109.7 174.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -71.33 142.4 50.43 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.063 -0.398 . . . . 0.0 110.648 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.59 5.94 64.5 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.982 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.92 171.38 14.52 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.011 1.405 . . . . 0.0 111.577 176.307 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -91.74 163.66 14.0 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.25 151.01 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.35 1.06 . . . . 0.0 109.075 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -114.23 143.41 44.89 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.409 0.684 . . . . 0.0 110.345 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.5 87.89 25.83 Favored Pre-proline 0 N--CA 1.455 -0.19 0 C-N-CA 123.961 0.904 . . . . 0.0 110.998 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.3 143.16 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.143 2.562 . . . . 0.0 111.273 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.3 p -162.46 166.04 25.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.773 0.321 . . . . 0.0 111.198 178.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -153.01 169.17 23.55 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.047 0.539 . . . . 0.0 111.196 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -140.54 171.66 13.8 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.09 148.04 31.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.539 0.736 . . . . 0.0 110.336 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -154.54 155.27 30.48 Favored Pre-proline 0 N--CA 1.456 -0.163 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -174.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.07 157.71 60.6 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.252 2.635 . . . . 0.0 110.074 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.0 tt0 -80.29 -0.03 34.84 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.965 0.506 . . . . 0.0 112.197 -177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.97 129.05 38.74 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -177.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.85 4.51 72.35 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.394 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.2 p-90 -152.14 166.9 30.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.887 1.343 . . . . 0.0 111.898 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.17 165.69 22.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.1 -13.38 26.15 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 t -95.11 -13.35 25.17 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.619 0.368 . . . . 0.0 111.614 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.86 146.23 87.58 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -71.55 160.71 47.6 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.903 3.069 . . . . 0.0 109.861 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.5 145.47 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 122.779 0.432 . . . . 0.0 110.107 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -148.19 166.09 28.94 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.4 1.08 . . . . 0.0 110.302 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.43 157.65 27.26 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -151.03 170.75 18.62 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -174.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -135.33 147.77 49.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.59 1.156 . . . . 0.0 111.563 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -142.86 154.28 43.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.016 0.527 . . . . 0.0 110.783 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.49 146.58 36.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.76 142.86 58.25 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.09 -3.38 65.93 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.49 127.42 55.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.748 1.219 . . . . 0.0 112.727 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -84.0 136.29 41.41 Favored Pre-proline 0 CA--C 1.531 0.245 0 O-C-N 122.323 -0.236 . . . . 0.0 111.024 -174.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.66 8.63 2.58 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 124.26 3.307 . . . . 0.0 114.342 -171.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.297 19.2 p90 -125.99 6.89 7.27 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -134.37 10.77 3.79 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -158.02 161.31 38.08 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.68 151.53 91.31 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 123.449 0.7 . . . . 0.0 111.167 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.36 155.98 55.16 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.156 2.57 . . . . 0.0 109.938 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -83.83 -16.41 10.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 176.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 153.0 18.25 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.005 0.922 . . . . 0.0 109.573 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.54 165.06 29.08 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 122.739 0.415 . . . . 0.0 111.38 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -116.11 0.36 12.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.525 0.73 . . . . 0.0 110.785 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -73.72 134.63 78.55 Favored Pre-proline 0 N--CA 1.449 -0.516 0 C-N-CA 123.399 0.679 . . . . 0.0 109.25 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -75.17 -9.72 20.66 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 124.154 3.236 . . . . 0.0 113.961 -172.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -117.15 -26.74 6.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.537 0.608 . . . . 0.0 112.352 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.5 tpp85 -71.41 137.0 47.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.229 0.612 . . . . 0.0 110.845 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -92.07 -179.18 5.2 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.194 0.598 . . . . 0.0 110.381 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.15 171.75 16.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.729 0.812 . . . . 0.0 111.687 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -58.61 147.3 32.98 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 123.102 0.561 . . . . 0.0 111.232 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.19 63.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.397 0.279 . . . . 0.0 111.646 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -87.74 -7.26 57.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.934 0.334 . . . . 0.0 111.511 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -119.12 -7.77 10.28 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -60.22 134.47 57.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.924 0.393 . . . . 0.0 110.737 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.22 70.43 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.071 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -129.22 -35.87 1.76 Allowed 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.364 1.082 . . . . 0.0 112.589 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.96 136.56 32.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -157.28 152.96 26.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.625 0.25 . . . . 0.0 110.552 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.7 mt -102.59 144.73 30.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.7 mt -117.81 169.27 9.74 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.902 0.881 . . . . 0.0 110.26 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.27 177.18 42.97 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -94.89 136.34 35.32 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -68.12 -29.08 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.612 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -79.29 -13.02 59.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.353 0.661 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -95.42 9.41 40.1 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.366 0.667 . . . . 0.0 109.752 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 59.09 27.69 16.74 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.255 1.022 . . . . 0.0 112.869 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -79.95 143.22 34.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.7 p -127.71 8.45 6.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.525 0.73 . . . . 0.0 111.141 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -44.6 122.06 2.95 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.112 0.965 . . . . 0.0 111.648 -172.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.0 tp -102.11 143.84 31.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -133.06 133.33 42.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.36 125.11 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -102.98 141.35 35.93 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 44.37 58.51 3.75 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.75 145.87 22.96 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -125.36 163.07 23.39 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -64.55 -9.82 21.72 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -78.5 -17.51 56.14 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.139 0.576 . . . . 0.0 111.984 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.01 -13.88 59.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -66.03 133.38 50.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.934 0.494 . . . . 0.0 109.863 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.43 -150.26 22.34 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.2 m -140.9 153.77 45.84 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 122.94 0.496 . . . . 0.0 110.079 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -147.09 165.39 30.07 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -173.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -138.84 156.72 47.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.207 0.603 . . . . 0.0 110.293 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -92.52 154.47 18.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -131.82 136.41 47.48 Favored 'General case' 0 C--N 1.338 0.068 0 C-N-CA 123.02 0.528 . . . . 0.0 110.41 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.15 143.42 40.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.053 0.941 . . . . 0.0 110.361 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -147.8 119.88 8.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.131 0.572 . . . . 0.0 109.87 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -153.67 129.86 10.43 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -139.61 47.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 t -81.71 -11.1 59.19 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.611 -0.346 . . . . 0.0 110.768 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -85.5 139.26 31.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.309 0.644 . . . . 0.0 111.845 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -143.66 142.39 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.382 1.473 . . . . 0.0 108.722 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -152.26 154.92 36.68 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.552 0.215 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.4 t -127.22 131.9 50.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.205 0.602 . . . . 0.0 109.898 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 80.9 m-85 -84.29 63.58 7.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -141.96 163.63 32.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.824 0.85 . . . . 0.0 109.772 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p -62.76 142.31 58.22 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.901 0.381 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -145.92 -177.7 5.73 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.54 1.136 . . . . 0.0 110.75 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.635 HD23 ' H ' ' A' ' 123' ' ' LEU . 0.9 OUTLIER -52.4 -37.94 57.77 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -170.352 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -133.15 19.3 4.05 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.562 0.619 . . . . 0.0 110.805 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -141.44 149.19 40.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -172.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.02 152.95 40.18 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 120.912 0.387 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.0 t -162.82 162.5 26.55 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.06 0.544 . . . . 0.0 110.834 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -76.52 170.74 15.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.598 0.359 . . . . 0.0 111.081 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -138.12 165.17 27.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.983 0.913 . . . . 0.0 110.059 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 tp -100.58 123.0 44.2 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.6 t -102.54 142.02 34.41 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.48 138.3 55.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.974 0.509 . . . . 0.0 109.798 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.0 m-85 -126.94 144.81 50.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.9 t -136.81 143.38 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -131.86 142.73 49.78 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.38 140.74 58.55 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.626 0.25 . . . . 0.0 110.661 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.35 121.64 18.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.6 t -144.07 -16.23 0.59 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -162.41 141.91 9.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.145 0.578 . . . . 0.0 109.465 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 61.87 -169.96 11.59 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.151 0.405 . . . . 0.0 113.265 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.4 t -160.6 145.63 14.46 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 124.237 1.015 . . . . 0.0 109.084 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.9 tt -78.73 -53.28 7.3 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.323 -0.236 . . . . 0.0 111.275 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.5 t 58.97 128.75 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -70.0 154.73 66.49 Favored 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.797 2.331 . . . . 0.0 111.046 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.25 -179.818 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 120.477 0.18 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 42.7 tp10 -70.7 147.62 48.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.83 0.452 . . . . 0.0 110.548 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.48 7.97 29.12 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.582 -0.566 . . . . 0.0 113.186 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.403 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 16.1 t0 -154.07 117.31 4.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.867 0.834 . . . . 0.0 111.595 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -153.55 169.56 22.92 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 123.924 0.89 . . . . 0.0 110.316 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -122.68 166.24 15.21 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.757 0.823 . . . . 0.0 109.183 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -56.56 130.94 47.25 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -172.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 79.16 3.86 88.58 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-O 119.774 -0.459 . . . . 0.0 113.39 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -66.84 152.26 45.94 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.721 1.261 . . . . 0.0 109.162 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.35 -16.22 14.47 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 123.851 0.739 . . . . 0.0 112.644 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.54 119.44 24.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.211 1.006 . . . . 0.0 112.231 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -136.75 159.12 42.8 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.542 0.337 . . . . 0.0 110.549 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -144.98 143.77 30.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.328 0.651 . . . . 0.0 109.68 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -130.33 113.6 14.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.74 155.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.276 0.63 . . . . 0.0 110.481 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.52 118.67 10.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.78 -18.53 64.21 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -153.84 124.4 7.12 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.396 0.544 . . . . 0.0 110.385 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.26 149.56 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.461 1.104 . . . . 0.0 108.373 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.81 139.51 38.23 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.58 156.03 5.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.079 0 C-N-CA 122.911 0.485 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -89.48 157.51 18.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.011 -0.431 . . . . 0.0 110.15 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.68 143.81 53.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.274 -0.267 . . . . 0.0 110.805 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.26 5.78 67.15 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.842 -0.977 . . . . 0.0 114.763 174.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -147.12 172.97 12.95 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.389 1.595 . . . . 0.0 111.748 177.083 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -91.69 167.61 12.07 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -155.38 156.81 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.807 1.243 . . . . 0.0 109.063 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.43 140.74 51.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.667 0.787 . . . . 0.0 109.961 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.29 90.18 25.85 Favored Pre-proline 0 N--CA 1.457 -0.114 0 C-N-CA 124.051 0.94 . . . . 0.0 110.843 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.01 144.1 46.49 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.259 2.64 . . . . 0.0 111.177 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.3 p -162.16 168.49 22.43 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.423 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.5 t -151.96 168.36 25.45 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.85 0.86 . . . . 0.0 110.689 -177.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -140.3 168.43 19.83 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -147.71 150.03 33.54 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.89 0.476 . . . . 0.0 109.935 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.9 155.98 33.98 Favored Pre-proline 0 CA--C 1.53 0.198 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -173.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.14 156.79 64.47 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.218 2.612 . . . . 0.0 109.819 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -78.7 -1.2 33.34 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 112.102 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.12 127.91 34.77 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.44 4.84 67.76 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.15 -0.806 . . . . 0.0 114.58 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.459 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 65.9 p-90 -151.75 167.29 28.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 118.961 1.38 . . . . 0.0 112.358 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.39 164.47 22.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -60.42 -27.67 67.66 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -176.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -89.59 -3.44 58.29 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.3 149.35 91.53 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.38 160.44 49.53 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.809 3.006 . . . . 0.0 109.916 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.91 148.93 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.627 0.371 . . . . 0.0 110.158 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -148.97 164.05 35.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.653 1.181 . . . . 0.0 110.161 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.02 155.23 26.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -150.03 173.0 14.34 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -174.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -138.73 146.53 41.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.66 1.184 . . . . 0.0 111.266 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.01 151.46 40.86 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -74.19 144.81 44.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.2 135.95 49.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.31 -9.83 76.43 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.58 -0.567 . . . . 0.0 112.92 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -68.58 164.87 20.39 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -131.34 98.67 18.21 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 123.663 0.785 . . . . 0.0 109.141 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.41 -17.08 15.29 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 124.738 3.625 . . . . 0.0 116.011 -172.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.25 12.0 p90 -70.96 -17.22 62.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -137.24 -18.43 1.3 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.76 0.424 . . . . 0.0 111.701 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -80.19 153.13 28.79 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.66 140.6 33.58 Favored Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.68 155.26 58.99 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.715 2.277 . . . . 0.0 110.451 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -80.52 -17.2 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 122.233 -0.292 . . . . 0.0 111.264 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.91 150.28 11.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.365 1.066 . . . . 0.0 109.019 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 t -160.2 155.79 25.53 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -94.01 -13.18 27.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.695 0.798 . . . . 0.0 110.924 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -73.12 122.56 87.97 Favored Pre-proline 0 N--CA 1.453 -0.324 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.03 -19.5 22.97 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.461 2.774 . . . . 0.0 112.413 -176.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -94.31 -16.27 23.69 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -91.14 133.98 34.91 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -85.15 -178.79 6.88 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.913 0.485 . . . . 0.0 109.971 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.08 169.44 21.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.634 0.774 . . . . 0.0 111.48 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -58.41 145.34 38.82 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.836 0.454 . . . . 0.0 110.985 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.35 64.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -88.31 -9.49 52.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.286 0.494 . . . . 0.0 111.666 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.466 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -112.84 -7.97 13.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -60.1 131.55 51.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.923 0.392 . . . . 0.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.49 2.41 74.5 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.357 -0.69 . . . . 0.0 112.843 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -127.26 -33.9 2.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.381 1.091 . . . . 0.0 112.578 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.466 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.0 m-85 -88.24 140.22 29.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 175.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -156.77 146.43 20.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.7 mt -99.47 144.28 28.74 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 mt -116.16 171.2 7.96 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.658 0.783 . . . . 0.0 110.146 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.38 -156.55 51.27 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.252 6.7 p30 -137.2 144.41 42.84 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -24.66 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.632 0.773 . . . . 0.0 111.347 -177.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -81.29 6.66 13.51 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.218 0.607 . . . . 0.0 112.067 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.2 t -129.23 16.16 6.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.081 0.953 . . . . 0.0 109.546 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 59.49 20.5 8.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.716 1.206 . . . . 0.0 113.806 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -79.73 139.09 37.44 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.0 p -122.95 10.76 9.52 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.806 0.443 . . . . 0.0 111.843 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.8 m -44.56 133.99 5.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.768 0.827 . . . . 0.0 111.959 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.8 tp -119.87 148.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.99 0.916 . . . . 0.0 108.981 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.4 t -138.44 136.82 36.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 175.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.18 124.83 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -101.43 140.84 35.16 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.323 0.649 . . . . 0.0 109.42 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 46.1 55.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.68 150.5 12.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -141.95 168.42 19.78 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.806 0.842 . . . . 0.0 109.853 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.12 -16.45 32.29 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -73.52 -17.2 61.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.105 0.412 . . . . 0.0 111.928 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -83.92 -13.53 53.26 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.765 0.426 . . . . 0.0 111.739 -177.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.55 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -66.73 133.76 50.82 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.78 -149.93 22.01 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.6 m -139.17 152.85 47.74 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.134 0.574 . . . . 0.0 110.427 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -146.33 165.9 27.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -174.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -140.28 157.43 45.59 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.984 0.514 . . . . 0.0 111.729 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -87.93 154.6 20.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -132.09 133.5 44.4 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-O 120.694 0.283 . . . . 0.0 110.677 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.6 tp -105.46 143.55 33.47 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.303 1.041 . . . . 0.0 110.293 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -150.37 121.1 7.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 172.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -154.31 133.24 12.35 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 123.561 0.744 . . . . 0.0 109.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.8 -138.08 47.67 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -177.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.7 t -85.45 -1.8 57.44 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.735 0.414 . . . . 0.0 111.103 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.4 ttp -91.08 126.64 36.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.332 0.653 . . . . 0.0 112.173 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 143.58 50.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.419 1.088 . . . . 0.0 108.859 172.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.405 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.4 t-105 -157.3 153.11 26.9 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.871 0.305 . . . . 0.0 110.728 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.6 p -129.67 140.36 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.205 0.602 . . . . 0.0 109.692 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.291 79.5 m-85 -88.63 65.45 7.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -141.92 159.72 41.65 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.0 p -62.21 152.01 34.5 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.992 0.517 . . . . 0.0 111.85 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -142.36 -166.16 2.19 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.309 1.043 . . . . 0.0 110.237 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.844 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.9 mm? -52.82 -26.11 13.5 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.492 1.117 . . . . 0.0 112.641 -174.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -154.61 -27.81 0.12 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.307 0.643 . . . . 0.0 111.647 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -71.92 149.07 45.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 172.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -146.42 154.01 41.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.2 t -163.9 151.39 12.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.612 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.79 169.63 16.34 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.992 0.425 . . . . 0.0 111.006 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -135.37 169.99 16.64 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.703 0.801 . . . . 0.0 111.032 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.41 124.91 46.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.0 t -103.07 143.23 32.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.71 141.65 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.55 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.3 m-85 -129.77 145.89 51.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.1 t -136.16 143.22 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.642 0.377 . . . . 0.0 111.856 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.3 144.81 49.92 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.22 141.96 57.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.436 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.82 115.43 7.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.546 0.338 . . . . 0.0 110.402 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -150.8 5.24 0.5 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -135.46 19.76 3.36 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.18 0.992 . . . . 0.0 111.067 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 83.52 165.05 37.57 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 86.0 p -71.16 147.76 48.03 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 121.165 0.507 . . . . 0.0 111.552 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.1 tt -84.03 -46.55 11.89 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.129 0.571 . . . . 0.0 110.446 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 144' ' ' PRO . 2.8 t 59.67 131.19 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 126.001 1.72 . . . . 0.0 115.491 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 143' ' ' VAL . 76.1 Cg_exo -53.46 144.49 50.64 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.0 2.467 . . . . 0.0 112.069 176.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.433 -177.224 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 tpp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.694 -0.113 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -68.78 158.24 34.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 111.335 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.05 -5.69 87.13 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.992 -0.338 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.282 80.4 m-20 59.33 24.64 13.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -154.74 172.05 18.56 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.005 0.922 . . . . 0.0 109.869 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -95.96 157.53 15.86 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 28.3 t80 -61.47 130.39 45.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -175.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 86.54 4.37 83.17 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.874 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -61.0 146.32 47.51 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.364 1.082 . . . . 0.0 112.134 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 -15.49 16.16 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.098 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -82.97 115.68 21.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.632 1.216 . . . . 0.0 112.378 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -136.89 151.02 48.61 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 148.22 29.96 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.997 0.519 . . . . 0.0 109.824 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -130.75 127.84 39.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.7 p -157.59 156.29 4.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.716 0.806 . . . . 0.0 110.571 -176.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.93 118.89 10.38 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 175.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.96 -17.26 62.67 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.3 tp -153.0 123.98 7.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 118.077 0.399 . . . . 0.0 110.119 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 t -119.78 148.42 22.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.504 1.121 . . . . 0.0 108.447 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.6 141.68 41.28 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.16 155.42 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.723 0.409 . . . . 0.0 111.261 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -87.48 157.99 19.06 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.88 -0.513 . . . . 0.0 109.813 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.57 142.08 50.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.173 -0.329 . . . . 0.0 111.578 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 6.62 67.66 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.823 -0.987 . . . . 0.0 114.364 175.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.07 172.29 13.28 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 175.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -92.18 167.07 12.3 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -170.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.43 156.53 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.406 1.082 . . . . 0.0 109.348 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -122.05 139.97 53.07 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.557 0.743 . . . . 0.0 109.725 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -132.41 89.76 35.68 Favored Pre-proline 0 C--O 1.232 0.178 0 C-N-CA 124.37 1.068 . . . . 0.0 110.917 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.76 140.48 42.8 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 123.081 2.521 . . . . 0.0 111.197 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.456 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.6 p -161.93 166.2 26.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.226 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -154.62 170.23 22.0 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 122.769 0.428 . . . . 0.0 110.958 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -138.9 169.66 17.39 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -147.02 149.93 34.1 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.687 0.795 . . . . 0.0 110.084 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.412 ' CD2' ' HE1' ' A' ' 115' ' ' MET . 12.0 p90 -152.07 157.4 34.13 Favored Pre-proline 0 N--CA 1.454 -0.239 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -173.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.33 159.32 53.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.292 2.661 . . . . 0.0 110.275 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.46 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.4 tt0 -80.14 -2.21 43.64 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -70.42 132.32 45.42 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.75 77.36 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.153 -0.804 . . . . 0.0 114.057 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.05 167.55 25.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.965 1.382 . . . . 0.0 112.302 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.88 167.2 19.35 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.11 -11.91 16.64 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.3 m -101.35 -6.02 24.63 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -77.36 146.14 73.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -71.25 160.06 50.03 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.869 3.046 . . . . 0.0 109.893 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.44 141.03 22.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -149.08 170.58 18.07 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.242 1.017 . . . . 0.0 110.461 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.56 160.07 28.03 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -149.43 171.61 16.29 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -174.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -135.77 149.89 49.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.288 1.035 . . . . 0.0 111.809 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -145.61 149.47 34.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -75.28 137.23 41.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.03 134.56 57.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 110.374 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.68 -4.31 85.87 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 118.859 -0.967 . . . . 0.0 113.533 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -83.64 -173.94 5.0 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.1 1.45 . . . . 0.0 107.616 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -115.92 98.34 50.91 Favored Pre-proline 0 CA--C 1.529 0.172 0 C-N-CA 123.07 0.548 . . . . 0.0 109.804 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -70.55 -15.46 34.13 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.027 2.485 . . . . 0.0 112.668 -170.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.294 15.9 p90 -87.36 -2.84 58.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 178.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -134.56 -29.7 1.17 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.133 0.173 . . . . 0.0 111.115 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -85.64 157.64 20.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.427 0.691 . . . . 0.0 110.705 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 150.94 83.39 Favored Pre-proline 0 CA--C 1.533 0.298 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -72.99 152.55 51.71 Favored 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 123.071 2.514 . . . . 0.0 110.302 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -81.44 -16.4 12.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.33 153.2 17.46 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.63 0.772 . . . . 0.0 109.46 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.0 t -161.14 162.12 31.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.677 0.275 . . . . 0.0 111.681 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -108.91 0.29 20.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.654 0.782 . . . . 0.0 110.78 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -68.83 129.67 92.22 Favored Pre-proline 0 N--CA 1.453 -0.315 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -71.55 -17.14 30.27 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.223 2.616 . . . . 0.0 113.094 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -114.84 -17.19 11.62 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.69 125.55 34.46 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -177.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.99 176.05 10.16 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.796 0.438 . . . . 0.0 110.679 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -124.57 176.33 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.586 0.754 . . . . 0.0 111.901 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -58.49 143.5 45.51 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 122.665 0.386 . . . . 0.0 110.954 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -20.94 66.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -83.3 -6.36 59.44 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.212 -0.305 . . . . 0.0 111.464 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p -126.39 -2.36 6.86 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -59.88 131.51 51.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.26 58.93 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.366 -0.686 . . . . 0.0 113.325 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 79' ' ' ARG . 37.9 mtm105 -119.61 -36.21 3.38 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.692 1.246 . . . . 0.0 111.256 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -88.25 139.4 30.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 174.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -157.26 152.51 26.19 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.307 0.243 . . . . 0.0 110.574 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.8 mt -106.93 145.18 32.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.792 0.329 . . . . 0.0 110.475 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -118.01 168.65 10.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.104 0.961 . . . . 0.0 110.361 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.85 173.81 45.91 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.99 139.45 30.6 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -28.06 37.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.875 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -82.97 -11.76 57.87 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 122.703 0.401 . . . . 0.0 111.095 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -93.56 7.53 44.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.514 0.725 . . . . 0.0 110.131 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 58.03 28.46 16.31 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.813 0.845 . . . . 0.0 112.503 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -78.74 142.61 36.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.2 p -128.28 8.65 6.06 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 111.255 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -44.94 115.66 0.93 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.128 0.971 . . . . 0.0 111.796 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.8 tp -93.08 146.11 23.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.1 t -135.46 134.05 39.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 172.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -107.44 125.2 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -103.18 140.35 37.47 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 46.27 58.73 4.27 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 151.1 17.26 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -134.47 162.73 31.43 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 124.016 0.926 . . . . 0.0 109.668 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -58.43 -22.65 55.01 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -72.9 -20.89 60.99 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.528 0.731 . . . . 0.0 111.819 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.31 -11.94 60.16 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.9 tttt -64.96 131.7 47.32 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.187 0.595 . . . . 0.0 109.563 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.08 -151.92 23.38 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -140.62 154.84 46.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.06 0.544 . . . . 0.0 110.477 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -147.35 166.17 27.95 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -173.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -141.9 158.78 43.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.316 0.646 . . . . 0.0 110.011 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 24.0 t80 -96.66 154.33 17.35 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -130.9 133.61 46.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.698 0.399 . . . . 0.0 110.79 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.1 tp -102.9 144.78 30.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.185 0.994 . . . . 0.0 110.6 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -151.36 120.25 6.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.824 0.45 . . . . 0.0 109.871 173.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -153.61 130.65 11.04 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 123.91 0.884 . . . . 0.0 108.978 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.16 -138.29 45.71 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -176.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.2 m -84.84 -1.52 56.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.071 0.436 . . . . 0.0 111.801 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.412 ' HE1' ' CD2' ' A' ' 35' ' ' TYR . 44.3 ttp -91.84 135.27 34.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.573 0.749 . . . . 0.0 111.164 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -142.13 145.7 34.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.867 1.267 . . . . 0.0 109.451 177.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.7 t-105 -157.05 156.91 33.66 Favored 'General case' 0 C--O 1.23 0.042 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.0 t -128.57 132.96 48.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.452 0.701 . . . . 0.0 110.141 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.297 79.5 m-85 -86.39 67.63 9.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -173.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -144.71 163.67 33.3 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.301 0.64 . . . . 0.0 109.689 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.6 p -61.87 146.81 48.62 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 122.594 0.358 . . . . 0.0 111.367 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -145.93 -171.37 3.69 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.542 1.137 . . . . 0.0 110.6 -175.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.88 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.2 mm? -61.16 -31.05 70.79 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.836 0.854 . . . . 0.0 112.709 -170.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -139.48 12.64 2.55 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 123.267 0.627 . . . . 0.0 110.565 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.26 12.6 t80 -133.79 148.28 51.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -174.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.19 143.17 29.09 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.6 0.238 . . . . 0.0 110.534 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -158.32 158.61 34.69 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.959 0.504 . . . . 0.0 110.32 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.68 169.19 18.74 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 121.055 0.455 . . . . 0.0 111.191 -178.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -137.31 165.51 26.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.935 0.894 . . . . 0.0 110.431 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.54 126.98 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.8 t -105.91 143.06 34.59 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.28 139.02 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.577 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.2 m-85 -127.78 146.92 50.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.29 143.46 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.316 0.646 . . . . 0.0 111.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.87 145.61 48.44 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.81 141.0 58.93 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 110.962 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.62 111.28 8.61 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.0 t -154.97 -1.2 0.16 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -150.34 2.03 0.47 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.58 -165.94 34.68 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.3 p -152.15 152.47 32.33 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.795 0.438 . . . . 0.0 109.908 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 142' ' ' LEU . 8.1 tt -81.8 -59.62 2.53 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 122.418 0.287 . . . . 0.0 110.88 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 144' ' ' PRO . 2.4 t 58.61 127.09 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 143' ' ' VAL . 50.1 Cg_exo -59.07 156.36 34.56 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.981 2.454 . . . . 0.0 112.833 176.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.555 -1.212 . . . . 0.0 110.36 178.511 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 tpp . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -66.54 155.73 36.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 111.182 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.28 2.38 62.72 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -151.69 23.48 0.69 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -80.77 176.18 10.03 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.118 0.567 . . . . 0.0 109.831 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -138.52 166.72 23.59 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.66 128.35 29.06 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 -171.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 88.4 -0.91 83.8 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.834 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.3 146.72 38.53 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.97 -15.84 19.1 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 123.615 0.626 . . . . 0.0 112.906 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.6 119.08 24.79 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.2 1.0 . . . . 0.0 112.989 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -138.88 150.81 46.39 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.609 0.364 . . . . 0.0 110.758 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.22 146.92 28.88 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.836 0.454 . . . . 0.0 110.354 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -127.69 128.98 46.37 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.271 0.628 . . . . 0.0 109.548 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -160.29 156.79 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.516 0.726 . . . . 0.0 110.773 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.32 120.22 12.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -67.97 -20.91 65.08 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -174.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -153.85 123.67 6.78 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 118.043 0.383 . . . . 0.0 110.343 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 t -118.77 147.88 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 124.456 1.102 . . . . 0.0 108.282 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.66 140.68 40.97 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -154.59 154.31 7.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.738 0.415 . . . . 0.0 111.455 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -85.85 157.95 20.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.988 -0.445 . . . . 0.0 109.901 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.69 141.26 49.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.249 -0.282 . . . . 0.0 111.034 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.77 6.65 63.58 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.021 -0.877 . . . . 0.0 114.968 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.98 175.71 10.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.858 1.329 . . . . 0.0 111.707 176.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -91.53 168.43 11.52 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -169.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.6 154.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.653 1.181 . . . . 0.0 109.26 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -119.39 139.63 51.69 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.693 0.797 . . . . 0.0 110.018 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -134.17 90.54 25.45 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.173 0.989 . . . . 0.0 111.561 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -65.13 147.55 88.53 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.464 2.776 . . . . 0.0 111.478 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.8 t -157.39 150.73 23.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.563 0.745 . . . . 0.0 110.802 -175.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -151.95 162.81 40.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.385 0.674 . . . . 0.0 111.013 176.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -140.97 170.31 15.98 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -147.19 145.95 29.67 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.818 0.847 . . . . 0.0 109.865 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -153.44 155.57 31.74 Favored Pre-proline 0 C--O 1.232 0.177 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.37 157.79 60.1 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.38 2.72 . . . . 0.0 110.479 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.3 tt0 -79.16 -1.25 35.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.995 0.518 . . . . 0.0 112.13 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.07 130.13 42.19 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.49 4.63 80.03 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.164 -0.798 . . . . 0.0 114.508 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.0 p-90 -150.86 164.77 35.47 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.045 1.422 . . . . 0.0 112.835 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 168.29 17.02 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.63 -12.08 30.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -97.42 -11.87 23.39 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.01 0.524 . . . . 0.0 111.519 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.19 147.91 93.63 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.55 163.12 39.48 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.802 3.001 . . . . 0.0 110.385 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.53 142.63 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -147.75 161.34 41.43 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.932 0.893 . . . . 0.0 110.261 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.43 156.86 27.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -151.72 170.98 18.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -175.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -135.38 145.85 47.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.606 1.162 . . . . 0.0 111.197 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -141.29 150.87 43.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -76.09 136.91 39.87 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.1 134.92 53.07 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.975 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.61 -9.13 72.32 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 118.957 -0.913 . . . . 0.0 113.911 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 p30 -82.06 -179.18 7.3 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.365 1.582 . . . . 0.0 107.715 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -104.19 123.33 41.1 Favored Pre-proline 0 CA--C 1.529 0.163 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 173.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -72.99 -3.9 14.46 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.729 2.286 . . . . 0.0 111.964 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.294 9.3 p90 -122.35 7.69 9.63 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -133.96 2.69 3.4 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.774 0.43 . . . . 0.0 110.83 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -149.75 163.1 38.89 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.59 150.4 73.01 Favored Pre-proline 0 N--CA 1.455 -0.211 0 C-N-CA 122.964 0.505 . . . . 0.0 111.358 -176.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.83 156.62 62.71 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.685 2.923 . . . . 0.0 110.169 173.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -85.64 -15.78 10.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.46 144.93 9.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.495 0.718 . . . . 0.0 110.316 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -168.91 165.13 11.65 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.469 0.708 . . . . 0.0 110.789 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.26 -5.14 11.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.409 0.684 . . . . 0.0 112.054 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.471 HD21 ' HB3' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -72.52 154.38 91.64 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.69 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -84.97 -12.96 6.85 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 124.18 3.253 . . . . 0.0 113.034 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -99.32 -4.68 31.2 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 117.456 2.391 . . . . 0.0 117.456 -171.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HB3' HD21 ' A' ' 67' ' ' ASN . 10.7 tpt180 -142.34 124.45 15.4 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.005 0.522 . . . . 0.0 110.347 -176.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -84.98 178.55 7.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.293 0.637 . . . . 0.0 110.441 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.11 171.87 2.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -58.63 146.85 34.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.487 0.715 . . . . 0.0 111.709 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.8 64.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -85.93 -11.21 53.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.107 0.412 . . . . 0.0 111.141 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -113.66 -1.7 13.96 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -60.47 131.5 50.95 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.53 1.62 52.97 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 118.739 -1.034 . . . . 0.0 113.504 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -120.65 -35.83 3.3 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.932 1.366 . . . . 0.0 112.315 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -83.82 140.25 32.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -156.74 146.49 20.82 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.5 mt -99.35 141.76 31.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.9 mt -113.45 -9.57 13.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.666 0.386 . . . . 0.0 111.387 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.06 143.07 22.82 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.08 127.03 31.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -24.85 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.556 0.343 . . . . 0.0 111.248 -177.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -89.93 6.06 43.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.157 0.583 . . . . 0.0 111.729 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -123.77 14.77 9.37 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.737 0.815 . . . . 0.0 110.687 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 57.53 24.23 10.11 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.121 0.969 . . . . 0.0 112.995 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -89.8 152.5 21.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.421 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 1.8 p -135.0 16.7 3.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.725 0.81 . . . . 0.0 111.921 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -52.16 134.76 32.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.756 0.422 . . . . 0.0 111.335 -175.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -119.36 151.56 38.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.319 1.048 . . . . 0.0 109.082 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.6 t -141.85 141.67 33.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.93 124.71 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -102.27 142.15 33.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 46.33 57.38 5.4 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.55 149.8 13.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -139.3 166.63 24.04 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.759 0.824 . . . . 0.0 109.874 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.61 -13.26 20.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -75.75 -16.48 60.12 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.907 0.483 . . . . 0.0 111.748 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -84.47 -14.76 48.28 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.6 0.36 . . . . 0.0 111.486 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.57 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -67.28 133.33 49.48 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.59 -149.44 21.38 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.9 m -141.26 153.59 45.31 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 123.061 0.545 . . . . 0.0 110.295 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -147.54 164.91 31.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -141.61 156.75 45.66 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.178 0.591 . . . . 0.0 109.647 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -92.05 154.57 18.67 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -130.72 130.26 43.58 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.534 0.333 . . . . 0.0 110.161 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.7 tp -100.64 144.8 29.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.772 0.829 . . . . 0.0 110.472 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -148.1 118.77 7.5 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.73 0.412 . . . . 0.0 110.066 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -153.84 131.95 11.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.351 0.66 . . . . 0.0 109.348 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.15 -140.78 47.7 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.5 p -83.82 -6.13 59.36 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.243 -0.563 . . . . 0.0 110.85 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -89.53 139.72 30.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.243 0.617 . . . . 0.0 112.14 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -143.56 142.13 30.97 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.251 1.42 . . . . 0.0 108.786 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.7 t-105 -152.57 149.54 28.59 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.0 m -120.17 133.22 55.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.113 0.565 . . . . 0.0 110.652 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.325 75.8 m-85 -83.53 62.74 6.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -174.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -141.53 156.73 45.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.3 m -65.2 153.35 41.21 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.798 0.439 . . . . 0.0 111.481 -177.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -147.59 -167.1 2.7 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.556 0.742 . . . . 0.0 110.433 -175.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 123' ' ' LEU . 2.1 pt? -51.7 -37.88 52.71 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -175.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -136.51 12.05 3.22 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.101 0.56 . . . . 0.0 111.243 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.287 39.0 t80 -126.01 151.43 47.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -173.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -145.67 134.03 21.85 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 123.145 0.578 . . . . 0.0 111.077 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.3 t -157.28 144.04 18.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.0 0.92 . . . . 0.0 109.199 172.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -70.42 167.16 18.84 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 121.384 0.611 . . . . 0.0 111.346 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.8 171.06 13.98 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.931 0.892 . . . . 0.0 111.062 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.5 129.31 46.44 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.554 0.742 . . . . 0.0 109.011 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 t -108.63 143.15 38.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 172.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 51.5 t -128.74 141.57 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.04 0.536 . . . . 0.0 109.723 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.57 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.5 m-85 -130.48 146.16 51.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.46 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.842 0.457 . . . . 0.0 111.324 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.4 142.36 48.32 Favored 'General case' 0 N--CA 1.458 -0.066 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.62 58.67 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.749 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.2 120.8 16.42 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -145.18 -18.06 0.49 Allowed 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 177.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -160.97 137.18 8.36 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.408 0.683 . . . . 0.0 109.227 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.67 -175.27 9.95 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 123.127 0.394 . . . . 0.0 113.081 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.3 t -160.98 149.7 16.37 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.903 0.881 . . . . 0.0 109.24 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.9 tt -79.15 -53.2 7.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -175.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 2.3 t 46.57 87.71 0.11 Allowed Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 143' ' ' VAL . 74.7 Cg_endo -70.05 163.12 39.66 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.639 2.893 . . . . 0.0 110.773 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 . . . . . 0 C--O 1.252 1.192 0 CA-C-O 117.146 -1.407 . . . . 0.0 110.977 179.613 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.46 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.868 0 CA-C-O 119.416 -0.658 . . . . 0.0 113.358 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.88 149.5 31.34 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.36 -15.68 8.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.593 0.616 . . . . 0.0 112.853 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -82.68 114.79 21.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.254 1.027 . . . . 0.0 113.625 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 mt -136.15 151.12 49.43 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.71 0.404 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -148.29 148.23 30.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -130.36 126.37 36.95 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.9 p -156.87 156.98 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.636 . . . . 0.0 110.481 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.2 116.8 7.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -69.89 -16.43 63.23 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -173.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -152.9 123.65 7.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.32 0.509 . . . . 0.0 110.038 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.39 148.59 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.483 1.113 . . . . 0.0 108.238 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.43 140.48 41.31 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.16 155.17 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.056 0 C-N-CA 122.775 0.43 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -87.45 157.22 19.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.122 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.68 140.29 51.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.389 0.276 . . . . 0.0 111.103 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.39 3.84 64.66 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 119.013 -0.882 . . . . 0.0 114.469 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.52 174.6 10.8 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.202 1.501 . . . . 0.0 111.489 177.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -91.89 168.28 11.54 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -156.7 156.1 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 124.624 1.17 . . . . 0.0 108.961 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -120.53 141.98 49.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.326 0.65 . . . . 0.0 110.275 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -134.58 88.86 27.83 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 123.69 0.796 . . . . 0.0 111.044 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.23 143.23 43.37 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.857 2.372 . . . . 0.0 111.383 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.4 p -161.44 166.71 26.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.759 0.314 . . . . 0.0 111.658 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -153.84 166.43 32.94 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.284 0.634 . . . . 0.0 111.061 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -141.48 169.35 17.77 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.3 m -142.54 148.54 37.75 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.038 0.935 . . . . 0.0 109.872 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -152.19 155.98 33.56 Favored Pre-proline 0 N--CA 1.457 -0.112 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.78 157.45 61.17 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.025 2.484 . . . . 0.0 110.193 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.66 -1.32 41.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.198 0.599 . . . . 0.0 111.95 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.4 139.69 55.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 4.44 89.86 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.017 -0.879 . . . . 0.0 114.455 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.85 167.26 27.08 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.293 1.546 . . . . 0.0 112.228 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.56 166.51 21.24 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -62.65 -9.15 8.06 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.1 p -110.21 -3.07 16.5 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.763 0.425 . . . . 0.0 111.949 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.96 147.09 88.25 Favored Pre-proline 0 N--CA 1.453 -0.283 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.39 160.89 47.35 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.702 2.935 . . . . 0.0 110.203 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.24 146.09 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.72 0.408 . . . . 0.0 110.408 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -148.8 166.74 27.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.879 1.271 . . . . 0.0 110.088 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.97 159.49 27.41 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -151.77 169.36 22.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -134.63 146.35 49.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.741 1.216 . . . . 0.0 111.041 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -143.27 154.65 44.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.68 0.392 . . . . 0.0 110.537 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -73.87 153.42 39.88 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 O-C-N 121.297 -0.877 . . . . 0.0 109.492 176.337 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -71.72 158.34 53.52 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.724 2.949 . . . . 0.0 110.367 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.9 -16.83 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.38 150.91 14.78 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.991 0.916 . . . . 0.0 109.355 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.0 t -161.44 165.27 29.02 Favored 'General case' 0 C--O 1.228 -0.064 0 C-N-CA 122.679 0.392 . . . . 0.0 111.98 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -116.86 -2.33 11.84 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.39 0.676 . . . . 0.0 110.725 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.265 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.32 167.45 24.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.411 0.684 . . . . 0.0 111.985 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -58.94 146.44 37.83 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.071 0.548 . . . . 0.0 111.138 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.32 -20.89 64.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.226 -0.297 . . . . 0.0 111.614 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -86.28 -10.47 54.48 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.957 0.344 . . . . 0.0 111.038 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.4 p -117.19 -5.35 11.36 Favored 'General case' 0 C--N 1.342 0.255 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.35 129.97 44.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.555 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.91 3.66 69.01 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.018 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -125.13 -33.67 2.85 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.454 1.127 . . . . 0.0 112.44 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -91.63 141.22 28.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 174.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -157.25 149.6 22.92 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.11 0.164 . . . . 0.0 110.635 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.5 mt -101.78 144.63 30.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.6 mt -118.76 177.49 4.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.635 0.774 . . . . 0.0 110.206 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.08 -155.04 41.86 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -133.6 128.03 34.3 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -64.56 -30.17 49.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.987 0.515 . . . . 0.0 111.402 -177.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.12 -3.44 45.48 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.609 0.364 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -110.94 13.02 22.16 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.21 1.004 . . . . 0.0 109.709 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 60.73 23.72 13.6 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.837 1.255 . . . . 0.0 113.389 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -76.22 145.11 40.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.841 0.292 . . . . 0.0 111.635 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.8 p -126.88 10.79 7.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 123.217 0.607 . . . . 0.0 111.473 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -46.99 132.95 11.63 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.763 0.825 . . . . 0.0 111.823 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.3 tp -118.49 148.16 42.89 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.915 0.886 . . . . 0.0 108.848 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 136.76 36.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.749 0.309 . . . . 0.0 110.463 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.78 132.15 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -114.04 141.72 47.08 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.1 t0 49.03 58.95 4.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.43 148.5 27.9 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 111.731 -174.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -136.95 165.47 25.91 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.424 0.69 . . . . 0.0 109.649 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -61.45 -18.27 58.19 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -77.24 -14.61 59.73 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -78.98 -15.36 58.38 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.7 tttt -65.92 131.08 45.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.18 -150.58 22.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 m -139.81 153.06 47.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.075 0.55 . . . . 0.0 110.611 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -147.09 165.41 30.02 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.11 156.8 45.92 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -92.14 154.59 18.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -133.46 133.91 42.88 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.616 0.367 . . . . 0.0 110.895 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.8 tp -106.43 146.38 30.59 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.408 1.083 . . . . 0.0 110.19 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -150.46 120.8 7.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -152.5 130.64 11.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.926 0.891 . . . . 0.0 109.292 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.43 47.48 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -82.19 -7.77 59.63 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.914 0.357 . . . . 0.0 111.536 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -91.58 142.84 27.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.295 0.638 . . . . 0.0 111.985 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -153.74 147.52 25.33 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.531 0.733 . . . . 0.0 109.572 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.46 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 66.0 t-105 -150.75 143.73 24.68 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.499 0.19 . . . . 0.0 111.49 -174.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -107.1 129.91 54.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.063 0.545 . . . . 0.0 110.217 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.278 78.9 m-85 -82.78 61.68 5.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -141.63 165.14 28.32 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.982 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 123.069 0.548 . . . . 0.0 112.006 -178.128 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.274 16.4 t80 . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.12 143.74 29.54 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-O 120.659 0.266 . . . . 0.0 111.219 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.6 t -158.76 162.23 37.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.664 0.786 . . . . 0.0 110.491 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.07 171.22 15.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.043 0.537 . . . . 0.0 110.824 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -139.77 165.8 26.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.904 0.882 . . . . 0.0 110.48 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.6 tp -100.49 128.66 46.49 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 t -107.6 143.13 36.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.55 141.25 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.935 0.494 . . . . 0.0 109.729 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.4 m-85 -129.28 147.35 51.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.04 143.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.938 0.495 . . . . 0.0 111.317 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.04 142.31 46.34 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.71 58.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 111.015 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.527 0.837 0 CA-C-O 119.705 -0.497 . . . . 0.0 112.868 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -56.52 141.39 42.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.371 1.085 . . . . 0.0 113.664 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.78 -15.7 40.88 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.085 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -84.27 117.06 23.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.167 0.984 . . . . 0.0 112.93 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -137.64 151.6 48.46 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.005 0.366 . . . . 0.0 110.903 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.37 147.65 29.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -129.57 126.88 39.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.952 0.501 . . . . 0.0 109.714 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -156.8 156.79 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -66.05 117.34 8.25 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -67.41 -18.7 65.21 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.47 124.55 7.41 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.271 0.487 . . . . 0.0 110.248 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -120.79 149.81 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 124.531 1.133 . . . . 0.0 108.254 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.74 140.83 40.9 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -153.08 156.05 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.991 0.516 . . . . 0.0 111.299 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -89.5 156.76 18.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.953 -0.467 . . . . 0.0 110.246 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -69.12 142.09 54.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.376 -0.202 . . . . 0.0 110.727 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.92 3.77 65.61 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.842 -0.976 . . . . 0.0 114.937 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -147.35 173.94 12.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.292 1.546 . . . . 0.0 111.716 178.483 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -91.94 168.14 11.62 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.56 155.88 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.756 1.222 . . . . 0.0 108.894 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -119.46 141.71 48.9 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 110.317 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.51 87.65 26.33 Favored Pre-proline 0 CA--C 1.53 0.19 0 C-N-CA 124.079 0.951 . . . . 0.0 111.007 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.46 143.19 46.76 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.113 2.542 . . . . 0.0 111.255 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.5 p -161.79 167.0 25.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 111.522 178.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -153.84 169.21 23.94 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 122.923 0.489 . . . . 0.0 111.245 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -139.4 172.52 12.69 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -147.77 148.64 31.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.832 0.853 . . . . 0.0 110.256 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -154.36 156.24 31.54 Favored Pre-proline 0 CA--C 1.529 0.137 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -67.28 158.2 58.11 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.318 2.679 . . . . 0.0 110.195 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -80.13 -1.92 42.31 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.83 132.23 46.44 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.27 75.6 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.231 -0.761 . . . . 0.0 114.343 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.3 p-90 -150.5 167.03 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.783 1.292 . . . . 0.0 112.512 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 167.37 18.97 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.57 -11.42 16.5 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -103.76 -6.08 21.84 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.091 0.557 . . . . 0.0 112.327 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -75.41 145.78 80.05 Favored Pre-proline 0 N--CA 1.453 -0.3 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -71.35 159.88 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.84 3.026 . . . . 0.0 110.047 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.36 144.48 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 122.686 0.394 . . . . 0.0 110.249 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -148.98 165.39 31.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.733 1.213 . . . . 0.0 109.906 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.85 160.48 26.64 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -150.04 167.86 25.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -135.01 146.51 49.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.755 1.222 . . . . 0.0 111.415 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -144.5 152.22 40.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.694 0.398 . . . . 0.0 111.033 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -73.49 146.11 45.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.45 155.89 59.14 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.933 2.422 . . . . 0.0 110.252 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 m -82.46 -17.49 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 O-C-N 122.274 -0.266 . . . . 0.0 111.02 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.51 152.91 12.57 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.331 1.052 . . . . 0.0 109.137 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 t -160.74 155.82 24.4 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.352 0.524 . . . . 0.0 111.822 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -89.14 -16.43 31.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.021 0.529 . . . . 0.0 110.618 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -177.5 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.33 172.24 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.048 0.539 . . . . 0.0 111.943 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -58.68 144.98 41.64 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.574 0.35 . . . . 0.0 111.048 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.96 -23.62 65.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.414 0.286 . . . . 0.0 111.728 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.87 -14.61 53.93 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.12 0.418 . . . . 0.0 111.18 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -110.41 -0.3 17.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -60.78 125.06 22.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 1.73 60.38 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.281 -0.733 . . . . 0.0 113.671 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -118.18 -28.58 5.79 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.55 1.175 . . . . 0.0 112.218 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.447 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -96.18 141.26 29.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.36 148.5 23.24 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.41 143.55 32.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.6 mt -116.47 177.42 4.7 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.743 0.817 . . . . 0.0 110.008 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.69 -149.23 36.29 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -142.62 128.88 19.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -23.65 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 O-C-N 122.166 -0.334 . . . . 0.0 111.713 -176.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -79.09 -8.89 59.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.659 0.384 . . . . 0.0 110.687 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -105.01 12.39 32.33 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.101 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 60.1 23.9 13.15 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.449 1.099 . . . . 0.0 113.424 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -83.75 146.56 28.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.1 p -128.43 10.48 6.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.473 0.709 . . . . 0.0 111.79 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.6 m -45.28 130.7 8.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.08 0.952 . . . . 0.0 111.918 -171.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.9 tp -114.56 148.4 38.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.978 0.911 . . . . 0.0 109.128 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -139.02 136.07 34.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.74 133.58 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -115.89 140.6 49.07 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.9 t0 48.74 60.05 3.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.86 148.67 33.93 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.56 0.344 . . . . 0.0 111.679 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -139.7 164.0 31.09 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.79 0.836 . . . . 0.0 109.227 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -60.25 -15.26 23.15 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.47 -14.3 59.43 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 122.653 0.381 . . . . 0.0 111.897 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -80.55 -15.63 56.19 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.617 ' HE2' ' CD2' ' A' ' 133' ' ' PHE . 64.2 tttm -65.23 130.46 43.43 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.39 -151.48 23.05 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -139.25 152.26 47.15 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.701 0.8 . . . . 0.0 110.408 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -146.62 164.39 32.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -141.18 158.63 43.65 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -96.05 154.69 17.11 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -132.07 133.49 44.41 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 122.681 0.392 . . . . 0.0 110.928 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 tp -104.55 144.99 30.93 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.938 0.895 . . . . 0.0 110.568 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.52 120.37 7.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 122.914 0.486 . . . . 0.0 109.837 173.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -153.97 131.05 11.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.06 -138.86 47.03 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -82.71 -4.88 58.49 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.469 0.308 . . . . 0.0 111.38 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.6 ttp -88.89 138.85 31.03 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.537 0.735 . . . . 0.0 111.969 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.31 144.8 31.64 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 173.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.419 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.3 t-105 -156.42 146.36 21.14 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 117.691 0.223 . . . . 0.0 110.692 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -115.28 129.05 56.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.701 0.4 . . . . 0.0 109.97 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.287 81.1 m-85 -80.08 59.57 3.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -136.53 157.93 45.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.682 0.793 . . . . 0.0 109.583 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 120.773 0.321 . . . . 0.0 111.239 -179.583 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.2 142.73 28.7 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 122.42 0.288 . . . . 0.0 110.566 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -157.68 161.7 38.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.243 0.617 . . . . 0.0 110.555 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -75.72 170.66 15.76 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.17 0.509 . . . . 0.0 110.552 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -139.18 165.74 26.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.129 0.972 . . . . 0.0 110.539 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.2 tp -100.69 120.58 40.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.7 t -98.93 142.83 29.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.6 t -128.02 140.4 49.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 122.919 0.488 . . . . 0.0 109.737 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.617 ' CD2' ' HE2' ' A' ' 103' ' ' LYS . 30.2 m-85 -128.38 149.76 50.39 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 115.686 1.735 . . . . 0.0 115.686 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.2 143.12 37.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 122.896 0.479 . . . . 0.0 111.66 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.7 m -133.06 141.69 48.36 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.24 141.52 58.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.017 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 CA-C-O 119.359 -0.69 . . . . 0.0 113.455 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -67.15 152.32 45.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.901 1.35 . . . . 0.0 107.984 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.23 -15.74 37.67 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 123.832 0.73 . . . . 0.0 112.797 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -84.72 118.56 24.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.143 0.972 . . . . 0.0 112.66 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 mt -136.02 150.41 49.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 122.382 0.273 . . . . 0.0 110.534 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -148.42 147.71 29.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.443 0.297 . . . . 0.0 110.285 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -131.4 128.74 40.2 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.452 0.701 . . . . 0.0 109.316 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -160.0 156.72 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.591 0.756 . . . . 0.0 110.701 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.94 119.05 9.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.06 -18.31 62.57 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -152.02 123.78 7.95 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.177 0.444 . . . . 0.0 109.992 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -119.43 148.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.313 1.045 . . . . 0.0 108.218 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.24 141.13 42.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.98 153.39 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.593 0.357 . . . . 0.0 111.96 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -84.44 156.94 21.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -72.85 142.51 47.97 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.451 0.3 . . . . 0.0 110.905 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.0 6.36 65.23 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.09 -0.839 . . . . 0.0 114.737 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.74 171.1 14.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.006 1.403 . . . . 0.0 111.55 176.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -92.57 166.09 12.68 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.824 0.85 . . . . 0.0 113.197 -170.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.7 155.26 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.376 1.07 . . . . 0.0 109.747 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -117.08 140.22 49.76 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.978 0.911 . . . . 0.0 110.102 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.94 90.62 31.22 Favored Pre-proline 0 N--CA 1.456 -0.161 0 C-N-CA 124.525 1.13 . . . . 0.0 111.166 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.75 147.16 85.39 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.306 2.671 . . . . 0.0 111.492 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.6 t -156.97 148.35 22.21 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.564 0.746 . . . . 0.0 110.468 -176.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.3 p -151.44 162.0 41.72 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.225 0.61 . . . . 0.0 110.115 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -148.68 174.43 12.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -146.63 150.78 36.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.731 0.813 . . . . 0.0 109.94 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.39 154.52 32.09 Favored Pre-proline 0 CA--C 1.53 0.19 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.78 155.62 69.72 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.059 2.506 . . . . 0.0 110.166 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.463 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -78.09 1.82 19.89 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.159 0.583 . . . . 0.0 112.415 -176.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.77 128.29 35.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.96 7.47 80.73 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.904 -0.942 . . . . 0.0 114.341 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.8 p-90 -151.29 168.49 24.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.182 1.491 . . . . 0.0 112.96 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 167.62 18.21 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -63.23 -4.46 2.51 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -120.87 -1.63 9.89 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 122.962 0.505 . . . . 0.0 112.074 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 92.0 m-20 -72.09 143.79 86.66 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 48.6 Cg_exo -58.79 156.01 34.97 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.471 2.781 . . . . 0.0 111.63 175.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.99 145.04 20.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 122.714 0.406 . . . . 0.0 110.368 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -149.39 165.22 32.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.803 0.841 . . . . 0.0 110.763 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.04 157.73 26.53 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -151.26 171.27 17.7 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -138.59 146.44 41.8 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.568 1.147 . . . . 0.0 111.407 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -143.23 152.31 41.57 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.782 0.433 . . . . 0.0 111.036 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -70.54 145.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.25 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.069 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.36 154.59 65.22 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.115 2.544 . . . . 0.0 110.403 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.47 -16.51 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 O-C-N 122.23 -0.294 . . . . 0.0 111.662 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.13 148.62 11.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.978 0.911 . . . . 0.0 109.812 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -162.11 158.39 24.7 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 122.395 0.278 . . . . 0.0 111.097 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -106.53 -1.15 23.32 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.775 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.627 0.251 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.29 167.83 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 123.642 0.777 . . . . 0.0 111.642 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.19 146.76 37.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.798 0.439 . . . . 0.0 111.155 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -20.89 64.07 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -86.39 -7.22 58.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.836 0.289 . . . . 0.0 111.669 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.458 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -120.78 -5.96 9.64 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.04 132.25 53.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.709 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.37 1.68 71.02 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.191 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -126.37 -35.08 2.42 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.699 1.25 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.458 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -84.65 140.37 31.38 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -156.84 146.57 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.263 0.225 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.0 mt -97.36 145.28 26.29 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.82 173.78 6.45 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.28 0.632 . . . . 0.0 110.199 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.83 -154.57 37.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -132.64 131.25 41.17 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 pt -65.92 -28.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 123.149 0.579 . . . . 0.0 111.39 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -80.18 -9.13 59.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.109 0.163 . . . . 0.0 111.238 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t -102.31 10.76 38.94 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.27 1.028 . . . . 0.0 110.263 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 59.31 30.74 20.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.183 0.993 . . . . 0.0 112.473 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -82.04 145.07 30.41 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.436 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.0 p -131.43 15.64 4.98 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.351 0.66 . . . . 0.0 110.844 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.7 m -54.12 141.29 29.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.343 0.657 . . . . 0.0 111.165 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.4 tp -126.34 148.57 49.54 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.012 0.925 . . . . 0.0 108.936 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -138.99 138.95 37.72 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.42 124.75 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -101.33 139.12 37.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 45.5 59.74 3.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.05 14.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -134.63 166.05 23.81 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.936 0.894 . . . . 0.0 109.616 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -60.82 -17.97 52.88 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -74.67 -15.26 60.81 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.223 0.609 . . . . 0.0 111.963 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -82.81 -12.93 57.09 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.47 131.47 45.74 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.4 -155.29 26.05 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -136.6 151.91 49.87 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.949 0.499 . . . . 0.0 110.318 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -148.21 165.31 31.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -140.39 156.56 46.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.292 0.637 . . . . 0.0 111.05 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -88.29 154.62 20.27 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -138.89 148.06 43.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.084 -0.385 . . . . 0.0 110.728 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.74 143.37 50.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.805 0.842 . . . . 0.0 111.916 -170.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -140.8 129.99 23.55 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.693 0.797 . . . . 0.0 109.511 169.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -154.34 129.6 9.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.44 47.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 t -79.11 -12.42 60.0 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.722 -0.281 . . . . 0.0 110.915 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -86.66 143.08 27.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.336 0.654 . . . . 0.0 112.457 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 144.63 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.298 1.039 . . . . 0.0 108.618 173.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -153.77 159.66 42.0 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.098 0.159 . . . . 0.0 110.573 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.6 t -133.53 134.81 43.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.248 0.619 . . . . 0.0 110.031 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.29 79.8 m-85 -85.31 61.59 6.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -136.62 163.7 29.94 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.497 0.719 . . . . 0.0 110.123 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 122.574 0.35 . . . . 0.0 110.979 179.002 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 19.0 t80 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -146.22 144.38 29.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.766 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.8 t -158.62 160.68 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.959 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.15 171.1 15.08 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.949 0.499 . . . . 0.0 111.054 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -138.71 163.7 31.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.67 0.788 . . . . 0.0 110.31 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.52 133.73 44.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.68 143.21 44.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.0 t -127.52 140.31 49.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 C-N-CA 122.91 0.484 . . . . 0.0 109.789 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.7 m-85 -129.25 146.08 51.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.68 143.19 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 122.775 0.43 . . . . 0.0 111.483 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -133.01 141.08 48.09 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.48 140.82 58.91 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.479 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -179.012 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.436 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.529 0.942 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.548 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.07 149.27 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.21 -15.5 6.78 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.63 0.633 . . . . 0.0 112.971 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -83.72 121.72 27.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.054 0.927 . . . . 0.0 112.458 176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -140.0 158.47 44.01 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.767 0.427 . . . . 0.0 110.324 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.6 145.71 32.72 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.063 0.545 . . . . 0.0 109.693 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -131.42 115.92 16.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -155.82 154.3 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.171 0.588 . . . . 0.0 110.955 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.1 118.78 11.71 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.73 -19.57 65.16 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -153.79 124.97 7.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.236 0.471 . . . . 0.0 110.042 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.6 t -120.74 149.92 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.309 1.043 . . . . 0.0 108.309 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.55 139.92 40.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 177.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.1 153.54 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.796 0.438 . . . . 0.0 111.881 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -84.75 158.21 20.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.018 0.437 . . . . 0.0 109.92 174.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -73.86 140.13 45.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.508 0.323 . . . . 0.0 110.929 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.85 6.24 63.76 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 119.011 -0.883 . . . . 0.0 114.688 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.67 175.19 10.56 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.988 1.394 . . . . 0.0 111.853 178.144 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.6 m -92.72 165.43 12.95 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.84 155.71 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.389 1.076 . . . . 0.0 109.108 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -118.55 140.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.58 0.752 . . . . 0.0 110.047 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.1 89.55 28.39 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 123.818 0.847 . . . . 0.0 110.461 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.29 142.96 46.9 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.174 2.583 . . . . 0.0 111.244 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -161.45 166.78 26.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.038 0.446 . . . . 0.0 111.327 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -152.2 171.06 18.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.138 0.575 . . . . 0.0 110.977 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -140.49 170.35 15.96 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -147.34 150.16 34.21 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.098 0.559 . . . . 0.0 109.855 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -154.09 156.03 31.57 Favored Pre-proline 0 CA--C 1.529 0.16 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -174.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.54 158.63 56.89 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.122 2.548 . . . . 0.0 110.016 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.456 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -79.1 -1.11 34.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.249 0.62 . . . . 0.0 111.952 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.87 129.21 38.91 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.75 4.56 69.69 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 119.071 -0.85 . . . . 0.0 114.214 174.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.68 166.57 30.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.99 1.395 . . . . 0.0 112.419 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.13 167.66 18.76 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -62.97 -12.18 23.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -99.87 -6.28 27.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.99 0.516 . . . . 0.0 112.219 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.35 146.26 73.82 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.44 161.74 43.4 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.801 3.001 . . . . 0.0 110.024 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -144.99 144.97 21.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.929 0.395 . . . . 0.0 110.442 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -148.93 165.27 32.08 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.773 1.229 . . . . 0.0 110.038 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.66 158.85 27.17 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -150.02 172.01 15.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -136.37 146.42 46.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.303 1.041 . . . . 0.0 111.533 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.72 148.74 37.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -75.93 137.57 40.44 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.28 -177.233 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -71.91 153.58 58.33 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 122.941 2.427 . . . . 0.0 109.932 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.94 -16.33 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.28 15.51 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.021 0.929 . . . . 0.0 109.485 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -161.79 164.66 28.74 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.587 0.355 . . . . 0.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -115.24 -2.04 12.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.536 0.735 . . . . 0.0 111.084 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.008 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.53 172.84 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.392 0.677 . . . . 0.0 112.254 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.65 145.15 40.84 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.808 0.443 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -20.57 64.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -85.49 -11.82 53.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.851 0.296 . . . . 0.0 110.832 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.449 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -115.14 -0.15 13.39 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.86 128.01 34.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.79 2.06 56.03 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 119.535 -0.592 . . . . 0.0 113.288 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.2 mtm105 -119.26 -29.2 5.25 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.306 1.053 . . . . 0.0 112.157 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -97.8 140.3 32.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.57 151.2 25.73 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.143 0.177 . . . . 0.0 110.536 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.61 144.77 30.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.36 178.13 4.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.845 0.858 . . . . 0.0 110.098 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.65 -150.71 36.74 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -138.78 129.66 26.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -64.96 -30.52 50.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 122.72 0.408 . . . . 0.0 111.421 -177.42 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -79.56 -5.27 54.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.648 0.379 . . . . 0.0 111.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.3 t -106.11 12.75 29.92 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.217 1.007 . . . . 0.0 109.623 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 58.67 24.38 12.08 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.682 1.193 . . . . 0.0 112.971 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -83.22 144.54 29.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.1 p -127.69 11.05 6.68 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.172 0.589 . . . . 0.0 111.351 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -44.08 129.5 6.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.686 0.795 . . . . 0.0 111.763 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.4 tp -111.05 148.23 33.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.664 0.786 . . . . 0.0 109.112 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.8 t -137.85 136.22 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.39 133.8 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -115.99 140.79 48.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.5 t0 48.64 59.64 4.23 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 123.176 0.297 . . . . 0.0 110.277 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 147.9 30.48 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -136.53 163.75 29.78 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.592 0.757 . . . . 0.0 109.219 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -60.8 -18.04 52.99 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.4 tpp85 -73.43 -20.76 60.64 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.374 0.67 . . . . 0.0 111.605 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -75.84 -15.53 60.21 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.592 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.0 tttt -64.87 131.1 45.8 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.87 -149.77 21.28 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -141.62 153.47 44.78 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.075 0.55 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -147.31 166.88 25.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.4 155.92 45.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.209 0.604 . . . . 0.0 110.533 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -90.0 154.33 19.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -134.3 137.08 43.97 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 117.894 0.315 . . . . 0.0 110.946 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -110.01 145.48 36.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.772 0.829 . . . . 0.0 110.382 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.13 120.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.202 0.601 . . . . 0.0 109.617 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -153.99 130.09 10.34 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.5 0.72 . . . . 0.0 109.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.01 -138.79 47.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.2 t -80.84 -10.11 59.75 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.733 -0.275 . . . . 0.0 110.858 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 ttp -84.83 140.96 30.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.543 0.737 . . . . 0.0 111.997 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 146.12 32.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.527 1.131 . . . . 0.0 108.003 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.436 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 71.4 t-105 -154.35 149.35 26.78 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.782 0.264 . . . . 0.0 110.98 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -118.29 131.57 56.34 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.819 0.448 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.307 80.9 m-85 -85.69 60.8 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -141.19 164.21 30.88 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 123.518 0.727 . . . . 0.0 109.649 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.4 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.512 0.196 . . . . 0.0 110.976 -177.599 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -145.5 136.69 24.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.353 0.261 . . . . 0.0 110.698 -173.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.3 t -158.33 158.66 34.76 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -77.85 169.1 18.85 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.567 0.747 . . . . 0.0 111.108 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -136.92 169.63 17.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.986 0.915 . . . . 0.0 110.488 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.3 tp -100.54 129.01 46.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.5 t -108.33 143.16 37.59 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.6 t -127.48 140.03 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.592 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.3 m-85 -128.02 148.02 50.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.19 143.51 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 122.847 0.459 . . . . 0.0 112.009 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.33 141.87 45.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.82 141.74 58.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.149 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.887 0 CA-C-O 119.415 -0.658 . . . . 0.0 113.595 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.16 148.34 41.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.953 1.376 . . . . 0.0 111.117 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.18 -15.35 39.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.39 -0.672 . . . . 0.0 112.908 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -85.24 119.86 26.08 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.614 1.207 . . . . 0.0 112.532 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.3 mt -138.88 152.07 47.48 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 117.847 0.294 . . . . 0.0 111.038 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -148.55 147.23 28.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.5 125.23 35.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.744 0.418 . . . . 0.0 110.267 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 31' ' ' CYS . 9.0 p -159.68 162.3 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.427 1.091 . . . . 0.0 110.169 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -62.46 125.88 25.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.01 -14.64 62.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.322 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 tp -152.03 135.66 16.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.159 0.584 . . . . 0.0 110.339 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.6 t -130.91 146.77 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.73 141.77 43.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 177.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -155.02 153.94 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 123.299 0.64 . . . . 0.0 111.089 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -85.83 157.94 20.09 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.017 0.437 . . . . 0.0 110.034 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -72.22 143.06 48.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.025 -0.422 . . . . 0.0 110.92 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.5 5.39 67.08 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-O 119.07 -0.85 . . . . 0.0 114.313 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.84 171.99 13.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.942 1.371 . . . . 0.0 111.189 176.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -94.09 166.29 12.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -170.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.52 157.85 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.919 0.888 . . . . 0.0 109.183 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -121.24 141.07 51.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.623 0.769 . . . . 0.0 110.112 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -133.17 89.27 33.72 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 123.927 0.891 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.13 143.47 44.37 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.081 2.521 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.4 p -161.66 166.61 26.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.8 t -153.74 165.25 36.6 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.935 0.494 . . . . 0.0 110.85 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.44 170.14 16.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 t -144.81 149.3 35.21 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.254 0.621 . . . . 0.0 110.446 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -155.15 155.9 30.56 Favored Pre-proline 0 CA--C 1.529 0.172 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -67.2 159.3 52.81 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.365 2.71 . . . . 0.0 110.284 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.3 tt0 -80.92 -0.89 41.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.33 132.74 46.89 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.79 2.37 78.7 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.123 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -148.03 165.38 30.95 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.735 1.268 . . . . 0.0 112.326 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.21 167.63 17.36 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.47 -10.35 17.11 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.9 p -110.02 -2.33 17.12 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.51 146.73 86.53 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.84 160.88 47.96 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.797 2.998 . . . . 0.0 110.286 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 144.51 20.96 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 122.746 0.418 . . . . 0.0 110.541 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.17 166.92 27.38 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.484 1.114 . . . . 0.0 110.002 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.58 157.95 27.16 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -151.73 171.71 17.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -136.79 149.46 47.79 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.352 1.061 . . . . 0.0 111.525 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -144.66 154.03 42.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.79 0.436 . . . . 0.0 110.578 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -75.27 148.75 39.15 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 O-C-N 121.769 -0.582 . . . . 0.0 109.539 177.138 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.383 0.135 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.71 160.11 49.0 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.828 3.019 . . . . 0.0 110.16 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -81.98 -17.39 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 154.25 17.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.729 0.811 . . . . 0.0 109.208 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -162.83 165.37 25.39 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.69 0.281 . . . . 0.0 111.343 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -117.38 -1.39 11.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.343 0.657 . . . . 0.0 110.898 175.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.062 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.87 173.65 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -58.72 146.73 35.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.454 0.702 . . . . 0.0 111.481 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.2 65.3 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -86.05 -9.38 56.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.986 0.357 . . . . 0.0 111.376 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -116.27 -1.43 12.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -60.93 130.87 48.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.757 0.423 . . . . 0.0 109.923 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.67 1.96 54.93 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.049 -0.862 . . . . 0.0 113.341 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -120.55 -37.02 3.08 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.995 1.397 . . . . 0.0 111.854 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -84.2 138.94 32.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -157.1 149.93 23.55 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -101.98 144.79 30.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.2 mt -118.63 179.06 4.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.99 0.916 . . . . 0.0 110.366 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.12 -149.64 34.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -138.96 128.39 24.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.33 -30.06 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.888 0.475 . . . . 0.0 111.338 -177.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.07 -2.35 40.06 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 122.694 0.398 . . . . 0.0 110.736 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -111.91 12.9 20.84 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.542 1.137 . . . . 0.0 109.619 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 60.11 24.47 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.608 1.163 . . . . 0.0 113.558 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.52 142.45 34.16 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -123.06 10.28 9.4 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.34 0.656 . . . . 0.0 111.231 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.5 m -44.6 129.61 6.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.958 0.903 . . . . 0.0 111.821 -172.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.1 tp -114.38 147.59 38.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.181 0.992 . . . . 0.0 108.854 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -137.4 136.57 37.97 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 110.086 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -107.28 124.7 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -102.29 140.56 36.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 45.56 58.67 4.08 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 148.29 17.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -133.99 166.07 23.56 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.128 0.971 . . . . 0.0 109.642 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -61.36 -18.92 60.98 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -74.08 -15.37 61.06 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -80.63 -13.73 58.79 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.66 0.384 . . . . 0.0 111.52 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.589 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -68.62 134.74 50.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.35 -150.15 22.29 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -140.62 152.37 45.37 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 123.119 0.568 . . . . 0.0 110.332 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -146.59 165.25 30.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.89 157.9 44.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -93.8 154.42 17.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -129.65 132.56 46.73 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 122.704 0.402 . . . . 0.0 110.338 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -103.02 144.34 31.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -148.33 118.88 7.43 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -153.79 130.82 11.02 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 123.537 0.735 . . . . 0.0 109.209 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.79 -138.14 48.8 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.6 p -85.21 -6.37 59.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.089 0.445 . . . . 0.0 110.925 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.3 ttp -86.09 135.99 33.4 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 111.58 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -142.4 143.59 32.74 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.816 1.247 . . . . 0.0 108.862 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -154.9 151.28 28.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 122.371 -0.206 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -120.78 129.2 53.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.073 0.549 . . . . 0.0 110.324 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.28 77.3 m-85 -81.57 62.45 5.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.17 162.03 36.66 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.242 0.617 . . . . 0.0 109.795 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 N--CA 1.455 -0.192 0 C-N-CA 122.681 0.392 . . . . 0.0 111.895 -177.799 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.9 t80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -146.38 139.73 25.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.75 0.25 . . . . 0.0 110.884 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.5 t -159.57 162.87 35.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.742 0.817 . . . . 0.0 110.672 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -77.37 171.51 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.032 0.533 . . . . 0.0 110.98 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.03 163.34 32.67 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.088 0.955 . . . . 0.0 110.239 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 tp -100.56 119.53 38.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 t -97.71 142.84 29.01 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.83 140.58 48.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.589 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -128.02 146.1 50.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.5 t -135.9 143.15 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.93 0.492 . . . . 0.0 110.882 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -134.42 141.06 46.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.16 140.73 58.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.915 0.388 . . . . 0.0 110.631 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.383 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.458 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.885 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.28 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.82 142.14 51.2 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.33 -15.43 9.12 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.878 0.751 . . . . 0.0 112.925 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -81.75 114.42 20.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.32 1.06 . . . . 0.0 112.755 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -137.74 153.71 49.7 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 122.643 0.377 . . . . 0.0 110.433 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 147.53 29.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -130.49 127.34 39.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.111 0.564 . . . . 0.0 109.696 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -157.56 157.72 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.751 0.82 . . . . 0.0 110.258 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.5 118.11 8.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -68.17 -18.87 64.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -153.72 125.19 7.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.281 0.492 . . . . 0.0 110.307 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.8 147.85 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.492 1.117 . . . . 0.0 108.246 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.54 140.4 41.04 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.86 154.3 7.91 Favored 'Isoleucine or valine' 0 C--N 1.337 0.032 0 C-N-CA 122.679 0.391 . . . . 0.0 111.047 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -86.61 156.97 19.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.87 142.17 53.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.22 -0.3 . . . . 0.0 110.589 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.81 3.65 65.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.846 -0.974 . . . . 0.0 114.647 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.66 171.91 13.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 119.298 1.549 . . . . 0.0 111.396 176.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 m -93.37 166.36 12.33 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.64 157.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.467 1.107 . . . . 0.0 109.216 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -121.07 142.15 50.1 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.764 0.826 . . . . 0.0 110.333 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.6 t -135.15 88.54 25.92 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.285 1.034 . . . . 0.0 110.959 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.32 143.08 47.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.348 2.699 . . . . 0.0 111.129 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.478 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.0 p -162.55 166.53 24.63 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 111.35 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.0 p -153.72 169.46 23.27 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.15 0.58 . . . . 0.0 110.922 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -141.23 170.27 16.05 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.1 m -143.13 147.32 34.78 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.137 0.975 . . . . 0.0 110.343 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -153.62 154.85 30.93 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -67.21 154.34 74.52 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.048 2.499 . . . . 0.0 109.857 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 56.1 tt0 -80.35 -1.54 41.57 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.776 0.43 . . . . 0.0 111.842 -177.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.91 141.39 51.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.21 1.34 90.35 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.209 -0.773 . . . . 0.0 114.273 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.427 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 66.8 p-90 -151.44 165.83 32.94 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.76 1.28 . . . . 0.0 111.914 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.9 161.78 27.48 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -60.51 -27.83 67.91 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -86.86 -6.47 58.79 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.97 149.36 94.87 Favored Pre-proline 0 C--O 1.231 0.13 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.73 158.7 56.1 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.55 2.833 . . . . 0.0 109.892 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.99 147.47 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 122.593 0.357 . . . . 0.0 110.158 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -149.22 164.06 35.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.808 1.243 . . . . 0.0 110.161 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.8 155.49 26.19 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -148.92 170.8 17.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -135.91 147.03 47.97 Favored 'General case' 0 CA--C 1.522 -0.115 0 C-N-CA 124.365 1.066 . . . . 0.0 111.627 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -143.96 152.48 41.14 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.34 137.6 39.94 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.972 0.415 . . . . 0.0 110.639 -177.023 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.76 155.45 53.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.865 2.377 . . . . 0.0 110.063 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -83.32 -16.79 11.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 O-C-N 122.148 -0.345 . . . . 0.0 111.834 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.63 153.63 13.01 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.396 1.078 . . . . 0.0 108.809 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -162.36 154.96 19.53 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -90.39 -13.32 35.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.707 0.803 . . . . 0.0 110.929 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.059 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.62 173.58 14.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.11 0.564 . . . . 0.0 111.508 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -58.52 144.6 42.0 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.448 0.299 . . . . 0.0 111.33 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.8 65.83 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -84.35 -9.82 58.11 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.988 0.358 . . . . 0.0 111.043 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.457 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.28 -0.52 12.01 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -59.85 127.13 30.44 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.53 -1.48 43.91 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.643 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -113.39 -33.3 5.97 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.969 1.384 . . . . 0.0 112.063 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -87.44 141.45 28.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 174.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.32 147.44 22.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.3 mt -101.51 144.41 30.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 mt -115.98 171.27 7.89 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.676 0.79 . . . . 0.0 110.43 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.2 -155.44 50.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.258 7.5 p30 -137.26 144.85 42.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 178.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -23.82 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.833 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -81.58 5.32 18.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.302 0.641 . . . . 0.0 111.736 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t -126.77 15.09 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.941 0.897 . . . . 0.0 109.753 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 58.96 24.75 12.95 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.375 1.07 . . . . 0.0 113.227 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -82.46 144.85 30.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.7 p -128.03 9.94 6.35 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.339 0.656 . . . . 0.0 111.464 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 m -45.08 131.4 7.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.956 0.903 . . . . 0.0 111.482 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.6 tp -115.95 148.07 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 108.924 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.8 t -138.64 135.42 34.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 124.68 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -103.37 140.68 37.12 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.9 t0 48.68 62.4 2.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 147.68 37.64 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -139.18 165.54 26.89 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.738 0.815 . . . . 0.0 109.721 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.7 -13.8 26.11 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -76.39 -16.25 59.76 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.036 0.534 . . . . 0.0 111.529 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -83.69 -15.49 48.56 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 122.983 0.513 . . . . 0.0 111.83 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.572 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -65.31 133.61 51.79 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.99 -150.47 22.53 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.2 m -142.46 153.24 43.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.078 0.551 . . . . 0.0 109.974 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -148.37 166.65 27.44 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -144.48 158.71 43.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -94.25 154.57 17.47 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -131.81 137.24 48.05 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 122.436 0.294 . . . . 0.0 110.208 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.8 145.49 38.06 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 124.398 1.079 . . . . 0.0 110.288 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -150.94 119.43 6.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -153.48 131.71 11.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 109.082 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.96 -141.06 47.37 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -81.88 -5.9 58.64 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.102 0.451 . . . . 0.0 110.816 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -90.76 141.9 28.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.223 0.609 . . . . 0.0 112.163 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 145.33 31.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 174.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.458 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.8 t-105 -154.08 147.53 25.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.506 0.139 . . . . 0.0 111.137 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.4 m -116.11 131.13 57.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.667 0.387 . . . . 0.0 110.026 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.308 81.1 m-85 -82.04 57.93 3.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -134.99 158.11 45.18 Favored 'General case' 0 C--O 1.227 -0.094 0 C-N-CA 123.925 0.89 . . . . 0.0 108.909 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.234 0.248 0 O-C-N 122.182 -0.324 . . . . 0.0 110.82 -179.329 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.257 22.4 t80 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -145.9 136.89 24.57 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.138 0.575 . . . . 0.0 110.857 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.5 t -156.28 160.85 40.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.888 0.475 . . . . 0.0 111.793 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -76.9 169.78 17.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.081 0.467 . . . . 0.0 110.873 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -139.17 166.13 25.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.685 0.794 . . . . 0.0 110.673 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.48 123.67 45.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.2 t -102.45 142.92 32.87 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 172.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.12 141.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.149 0.58 . . . . 0.0 109.92 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.9 m-85 -130.27 147.05 51.95 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.8 t -135.43 143.45 36.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 122.795 0.438 . . . . 0.0 111.526 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -134.61 142.13 46.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.76 141.37 58.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.985 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.431 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.526 0.72 0 CA-C-O 119.412 -0.66 . . . . 0.0 113.585 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -60.17 149.11 33.86 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.71 -14.92 8.61 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.433 -0.648 . . . . 0.0 113.106 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.41 119.5 25.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.084 0.942 . . . . 0.0 112.653 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.7 mt -138.73 158.13 44.82 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.723 0.409 . . . . 0.0 110.527 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -143.93 143.51 31.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.105 0.562 . . . . 0.0 109.938 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.66 113.46 14.8 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.3 p -154.68 155.81 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.392 0.677 . . . . 0.0 110.702 -176.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -67.82 119.27 12.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.511 0.724 . . . . 0.0 109.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.77 -19.13 64.31 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.61 124.35 7.86 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 118.35 0.523 . . . . 0.0 110.249 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -121.11 148.06 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.739 1.216 . . . . 0.0 108.242 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.81 141.97 42.9 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.89 154.63 7.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 122.906 0.482 . . . . 0.0 110.954 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.01 156.17 19.45 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -68.38 140.93 55.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.21 -0.306 . . . . 0.0 110.686 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.19 65.83 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.728 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.77 173.84 11.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 119.268 1.534 . . . . 0.0 111.696 176.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -91.75 167.41 12.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.72 155.32 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 124.539 1.136 . . . . 0.0 109.251 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -120.0 140.21 51.3 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.569 0.748 . . . . 0.0 110.157 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 t -134.35 89.12 28.28 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 123.732 0.813 . . . . 0.0 111.283 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -70.1 142.81 47.4 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.291 2.66 . . . . 0.0 111.237 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB3' HG23 ' A' ' 15' ' ' VAL . 17.0 p -161.48 167.66 25.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 122.196 0.198 . . . . 0.0 111.275 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -153.0 172.22 17.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.195 0.598 . . . . 0.0 110.692 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -141.41 170.71 15.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 t -147.72 149.63 32.79 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.042 0.537 . . . . 0.0 110.118 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -152.89 156.12 32.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -172.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.85 157.69 60.63 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.199 2.599 . . . . 0.0 110.339 173.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.7 tt0 -80.22 -1.93 42.72 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.142 0.577 . . . . 0.0 112.283 -177.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.76 139.82 55.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 4.98 90.06 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.75 -1.028 . . . . 0.0 114.326 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.3 p-90 -151.19 166.24 31.47 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 119.331 1.566 . . . . 0.0 112.88 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.94 166.36 22.53 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.04 -10.85 11.1 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -100.06 -5.3 28.21 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.952 0.501 . . . . 0.0 111.785 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 94.9 m-20 -75.6 157.71 83.96 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 24.0 Cg_exo -67.98 173.14 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.024 3.149 . . . . 0.0 112.072 172.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.08 140.1 27.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 124.0 0.92 . . . . 0.0 112.328 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -149.29 162.73 39.46 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.531 0.732 . . . . 0.0 111.026 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.81 156.23 26.57 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -152.24 172.49 16.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -138.46 147.78 43.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.729 1.212 . . . . 0.0 111.46 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -144.98 153.04 41.09 Favored 'General case' 0 CA--C 1.522 -0.12 0 C-N-CA 122.938 0.495 . . . . 0.0 110.584 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.63 146.51 42.37 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.85 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -72.32 154.45 56.25 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.911 2.407 . . . . 0.0 110.23 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -81.73 -16.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 122.319 -0.238 . . . . 0.0 111.539 175.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.88 151.41 14.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.011 0.924 . . . . 0.0 109.219 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -161.72 161.57 29.4 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -110.48 -1.31 17.06 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.558 0.743 . . . . 0.0 110.673 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.445 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.031 0.443 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.52 170.14 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.084 0 C-N-CA 123.642 0.777 . . . . 0.0 111.947 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.55 148.0 30.18 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.988 0.515 . . . . 0.0 111.406 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.89 64.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -84.28 -12.29 54.94 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.995 0.361 . . . . 0.0 111.377 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.467 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.66 -1.59 13.98 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.62 128.77 38.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.71 1.6 58.88 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.791 -1.005 . . . . 0.0 113.412 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -119.11 -35.59 3.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.867 1.333 . . . . 0.0 111.87 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.467 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -85.2 139.02 31.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -157.36 149.02 22.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.294 -0.254 . . . . 0.0 110.778 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.0 mt -100.37 141.14 33.63 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.0 mt -115.89 -11.01 11.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.818 0.447 . . . . 0.0 111.828 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.76 143.85 23.68 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.08 124.22 28.55 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.28 44.19 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 122.576 0.35 . . . . 0.0 111.424 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -84.01 4.69 28.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.911 0.484 . . . . 0.0 111.072 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -121.95 13.09 10.55 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.064 0.945 . . . . 0.0 110.422 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.03 21.66 8.06 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.371 1.068 . . . . 0.0 113.328 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.03 147.31 24.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -128.8 12.23 6.24 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.626 0.77 . . . . 0.0 112.282 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.6 m -44.54 126.95 5.75 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.66 0.784 . . . . 0.0 111.795 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.2 tp -110.04 149.74 29.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.526 1.13 . . . . 0.0 109.479 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.7 t -139.23 137.02 35.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.164 -0.335 . . . . 0.0 110.346 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.83 124.88 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -102.46 141.55 35.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 45.62 58.53 4.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.88 148.98 15.78 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -135.24 165.29 25.77 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 123.851 0.861 . . . . 0.0 109.879 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.97 -15.12 27.94 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -78.52 -15.49 58.53 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.287 0.635 . . . . 0.0 111.467 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -81.17 -13.04 59.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.554 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.5 tttt -66.43 133.33 50.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.53 -151.82 23.7 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -138.77 152.49 47.96 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 123.015 0.526 . . . . 0.0 109.991 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -146.61 165.08 30.61 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -139.58 155.2 47.62 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.101 0.561 . . . . 0.0 111.646 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -87.95 154.59 20.39 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -131.69 130.18 41.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.831 0.287 . . . . 0.0 110.418 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.2 146.49 25.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.676 0.79 . . . . 0.0 110.526 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -144.55 117.04 8.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 172.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -148.79 116.81 6.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.63 -138.89 47.66 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.6 m -79.36 -6.19 56.23 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.815 0.307 . . . . 0.0 111.404 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -95.11 145.16 25.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.362 0.665 . . . . 0.0 112.134 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 148.59 36.61 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.431 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.6 t-105 -150.89 151.57 32.39 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.425 0.155 . . . . 0.0 110.711 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.97 131.18 53.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.995 0.518 . . . . 0.0 110.261 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.305 79.4 m-85 -84.12 62.57 7.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -174.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -140.4 159.97 41.01 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.233 0.214 0 C-N-CA 122.475 0.31 . . . . 0.0 111.534 -176.25 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 33.9 t80 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -145.61 136.93 24.96 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.888 0.475 . . . . 0.0 110.72 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.6 t -158.36 157.05 31.62 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.118 0.567 . . . . 0.0 111.524 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.86 170.95 15.61 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.812 0.445 . . . . 0.0 111.013 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -136.25 169.37 17.75 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.001 0.92 . . . . 0.0 110.88 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.0 tp -100.53 127.79 46.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 t -106.44 143.32 34.72 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 172.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.39 140.4 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.094 0.558 . . . . 0.0 109.737 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.554 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.1 m-85 -129.35 146.59 51.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 14.7 t -135.55 143.25 37.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.989 0.515 . . . . 0.0 111.991 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -135.99 143.59 44.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.62 141.69 58.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.729 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.532 1.143 0 CA-C-O 119.171 -0.794 . . . . 0.0 113.363 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -66.99 152.33 45.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.929 1.365 . . . . 0.0 108.498 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.0 -15.71 9.99 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.62 0.629 . . . . 0.0 113.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.76 118.93 24.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.176 0.988 . . . . 0.0 113.273 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -139.14 151.37 46.59 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.642 0.377 . . . . 0.0 110.193 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.6 148.51 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -130.5 127.5 39.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.8 p -156.85 156.27 4.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.53 0.732 . . . . 0.0 110.445 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -65.45 117.75 8.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.41 -16.63 62.97 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 tp -152.36 122.76 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.267 0.485 . . . . 0.0 110.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.89 149.12 22.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.61 141.43 41.26 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.92 153.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.82 0.448 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -85.92 156.18 20.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.103 0.478 . . . . 0.0 109.785 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.33 139.82 54.27 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.089 -0.382 . . . . 0.0 110.877 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.88 3.92 63.73 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.874 -0.959 . . . . 0.0 114.806 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.46 176.94 9.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.264 1.532 . . . . 0.0 111.948 177.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -91.74 164.73 13.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -170.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.18 155.15 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 173.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -119.99 140.76 50.45 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.402 0.681 . . . . 0.0 110.322 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -133.66 88.47 33.56 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.944 0.898 . . . . 0.0 111.335 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.08 142.93 43.27 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.361 2.707 . . . . 0.0 111.01 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.6 p -161.43 167.16 26.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.434 177.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.8 t -153.74 166.22 33.54 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.81 0.444 . . . . 0.0 110.698 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -140.66 169.98 16.62 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.4 t -145.6 147.69 32.32 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.046 0.938 . . . . 0.0 110.122 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -154.54 155.52 30.72 Favored Pre-proline 0 N--CA 1.454 -0.251 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -174.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.45 157.59 61.19 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.232 2.621 . . . . 0.0 110.346 174.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.9 tt0 -79.68 0.39 30.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.943 0.497 . . . . 0.0 111.663 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.69 129.12 39.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.26 5.48 69.98 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 119.253 -0.749 . . . . 0.0 113.912 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -153.82 166.92 31.39 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.773 1.286 . . . . 0.0 112.076 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.0 164.7 23.71 Favored 'General case' 0 CA--C 1.526 0.043 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -62.6 -10.84 13.56 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 t -98.57 -9.18 25.24 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.034 0.533 . . . . 0.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.51 148.07 85.35 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.1 166.89 28.31 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.688 2.925 . . . . 0.0 110.217 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.58 146.38 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.705 0.402 . . . . 0.0 110.703 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -149.18 164.76 33.82 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.194 1.397 . . . . 0.0 110.433 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.19 158.26 26.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -151.68 171.41 17.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 -175.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -136.98 148.59 46.99 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.016 1.327 . . . . 0.0 111.272 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -144.94 151.23 38.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.869 0.468 . . . . 0.0 110.464 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -72.77 145.86 46.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.771 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -71.9 155.03 58.29 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.129 2.553 . . . . 0.0 110.744 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.23 -15.41 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.63 152.19 17.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.693 0.797 . . . . 0.0 109.701 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -161.45 166.25 27.53 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.596 0.358 . . . . 0.0 111.482 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -119.74 -1.37 10.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.731 0.812 . . . . 0.0 111.371 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.31 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -131.38 168.81 23.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -58.71 145.77 38.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.295 0.638 . . . . 0.0 110.803 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.25 -19.72 65.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -87.45 -4.36 59.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.956 0.344 . . . . 0.0 111.574 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -124.31 -6.66 7.64 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 176.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.26 132.08 52.79 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.83 0.348 . . . . 0.0 110.194 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.76 3.87 74.61 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.907 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -127.46 -35.15 2.19 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 118.422 1.111 . . . . 0.0 112.333 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -89.92 140.44 29.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 175.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -155.64 146.52 22.29 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 117.696 0.226 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.82 144.93 28.31 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.14 178.27 4.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.58 0.752 . . . . 0.0 109.864 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -151.14 36.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -141.07 130.04 23.2 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.405 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.2 -29.61 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.136 0.575 . . . . 0.0 111.282 -177.49 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -80.38 -4.65 54.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.291 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -107.13 10.63 30.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.02 0.928 . . . . 0.0 109.516 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 59.32 24.99 13.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.589 1.156 . . . . 0.0 113.147 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -83.08 143.02 30.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.1 p -122.64 10.93 9.76 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.281 0.633 . . . . 0.0 111.515 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -45.63 131.36 8.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.876 0.87 . . . . 0.0 112.292 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -116.56 149.17 40.07 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.974 0.91 . . . . 0.0 108.831 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 t -139.75 138.72 36.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.919 0.39 . . . . 0.0 110.103 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.9 137.57 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -124.75 140.9 52.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.506 0.722 . . . . 0.0 109.31 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.06 57.15 6.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.36 147.77 30.04 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -132.34 167.06 20.55 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.91 -17.08 55.46 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp85 -79.94 -14.09 58.87 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.023 0.374 . . . . 0.0 111.915 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.06 -15.45 58.89 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.56 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.6 tttt -64.65 130.87 45.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.773 0.429 . . . . 0.0 109.898 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.27 -151.63 23.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.7 m -138.56 154.68 48.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.203 0.601 . . . . 0.0 110.526 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -147.1 165.78 28.9 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.77 0.428 . . . . 0.0 110.075 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -140.77 157.47 45.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.392 0.677 . . . . 0.0 110.957 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -93.45 154.41 17.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -131.89 133.48 44.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.548 0.339 . . . . 0.0 110.382 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 tp -105.41 145.45 30.8 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.079 0.952 . . . . 0.0 110.306 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -149.49 119.86 7.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.046 0.539 . . . . 0.0 109.693 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -152.03 131.34 12.85 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.915 0.886 . . . . 0.0 108.616 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -140.56 47.11 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.0 m -79.94 -8.34 59.28 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.861 0.33 . . . . 0.0 111.379 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -91.69 144.33 25.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -144.37 149.84 36.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.562 1.145 . . . . 0.0 108.129 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.413 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 71.6 t-105 -152.56 152.54 31.98 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.458 0.17 . . . . 0.0 110.814 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.85 130.65 53.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.171 0.588 . . . . 0.0 109.863 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 79.1 m-85 -85.22 61.63 6.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 -175.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -143.84 165.4 27.8 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.548 0.739 . . . . 0.0 109.604 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.011 0.434 . . . . 0.0 111.136 -178.856 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 12.6 t80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.25 143.75 29.41 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.327 0.251 . . . . 0.0 110.818 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.9 t -158.88 163.01 36.99 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.456 0.702 . . . . 0.0 111.353 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.56 171.15 15.35 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.974 0.51 . . . . 0.0 110.882 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -139.16 166.16 25.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.224 1.01 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.38 125.59 46.66 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -104.41 143.24 33.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.0 t -128.61 141.38 46.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 122.857 0.463 . . . . 0.0 109.757 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.56 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -130.38 146.69 51.99 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.83 143.42 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.881 0.472 . . . . 0.0 111.641 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -136.32 142.81 43.9 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.89 141.39 58.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.446 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.972 0 CA-C-O 119.296 -0.725 . . . . 0.0 113.396 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.45 149.6 29.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.83 -16.22 7.1 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.861 0.743 . . . . 0.0 112.905 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -82.89 118.16 23.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.182 0.991 . . . . 0.0 113.243 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 mt -139.34 150.75 45.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.808 0.443 . . . . 0.0 110.134 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.68 146.53 28.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.752 0.421 . . . . 0.0 109.999 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.58 124.7 36.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 31' ' ' CYS . 10.6 p -155.62 156.92 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 110.746 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.76 118.21 9.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -67.3 -21.38 65.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.82 122.11 7.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.777 0.322 . . . . 0.0 110.213 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -117.2 148.71 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.418 1.087 . . . . 0.0 108.297 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.63 140.77 41.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.98 152.44 10.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 C-N-CA 122.725 0.41 . . . . 0.0 110.892 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.401 ' HB2' HD11 ' A' ' 25' ' ' LEU . 34.1 mt-30 -85.52 157.12 20.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -69.84 141.3 53.28 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.966 -0.459 . . . . 0.0 110.888 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 6.12 68.33 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 119.169 -0.795 . . . . 0.0 114.641 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.08 176.64 9.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.045 1.423 . . . . 0.0 111.497 176.106 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -91.85 167.32 12.23 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.44 154.55 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.439 1.096 . . . . 0.0 108.853 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -120.97 140.39 51.95 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 123.334 0.654 . . . . 0.0 109.781 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.67 88.88 32.3 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.95 142.59 43.05 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.045 2.496 . . . . 0.0 111.143 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.2 p -161.47 166.81 26.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.184 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.3 p -154.02 170.54 20.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.907 0.483 . . . . 0.0 110.861 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -141.41 172.15 13.08 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.85 145.98 28.91 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.932 0.893 . . . . 0.0 110.076 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -151.75 156.23 34.3 Favored Pre-proline 0 N--CA 1.454 -0.273 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -172.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -67.18 156.87 64.39 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.305 2.67 . . . . 0.0 109.828 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.5 tt0 -81.51 0.25 38.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.907 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -67.85 138.64 56.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.84 4.24 90.41 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.213 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -150.96 166.27 31.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.216 1.508 . . . . 0.0 112.723 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.18 164.57 23.12 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -61.69 -11.31 11.29 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -102.57 -4.44 25.25 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.09 0.556 . . . . 0.0 112.109 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 93.9 m-20 -77.14 141.36 66.98 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 44.7 Cg_exo -59.67 163.18 13.73 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.74 2.96 . . . . 0.0 111.866 173.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.47 146.85 17.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-O 120.934 0.397 . . . . 0.0 110.581 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -148.91 167.5 25.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.74 1.216 . . . . 0.0 110.296 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.01 158.24 27.35 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -150.37 168.73 23.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -175.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -133.52 148.66 51.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.67 1.188 . . . . 0.0 111.302 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -144.32 148.02 34.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -74.16 138.17 43.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.379 -177.34 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.45 152.01 54.14 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.965 2.443 . . . . 0.0 110.171 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -80.03 -16.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.54 149.95 11.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.263 1.025 . . . . 0.0 109.432 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 t -161.12 164.23 30.8 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -113.72 -1.26 14.02 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 111.043 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.773 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 pm0 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.995 0.426 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 m -126.54 172.88 13.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 123.788 0.835 . . . . 0.0 110.458 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -58.88 148.3 30.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.956 0.502 . . . . 0.0 111.429 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.41 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -83.99 -7.65 59.35 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.271 -0.268 . . . . 0.0 111.236 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -119.34 -1.25 10.81 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 177.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 131.52 50.94 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.15 59.94 Favored Glycine 0 CA--C 1.531 1.031 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.425 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -122.66 -35.89 2.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.481 1.14 . . . . 0.0 111.807 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -87.19 139.81 30.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -156.96 148.23 22.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -100.07 144.76 28.72 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 mt -119.78 178.17 4.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.664 0.785 . . . . 0.0 110.055 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.48 -152.09 37.13 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -139.6 130.41 26.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.437 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -66.1 -28.71 44.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 122.935 0.494 . . . . 0.0 111.503 -177.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -79.89 -6.62 57.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.84 0.456 . . . . 0.0 111.065 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -105.63 11.96 31.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.964 0.906 . . . . 0.0 109.599 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 59.42 26.07 14.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.467 1.107 . . . . 0.0 113.15 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -82.54 147.56 28.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.25 11.2 6.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.519 0.728 . . . . 0.0 111.385 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.9 m -46.08 133.31 9.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.567 0.747 . . . . 0.0 112.02 -171.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -118.59 148.17 42.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.831 0.852 . . . . 0.0 109.201 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.5 t -138.65 136.68 36.15 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.303 -0.248 . . . . 0.0 110.43 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.62 124.81 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -102.25 140.88 35.94 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 46.53 56.77 6.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.82 13.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.53 158.96 38.53 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.714 0.806 . . . . 0.0 109.262 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -63.42 -10.71 18.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -78.72 -21.19 48.47 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.227 0.611 . . . . 0.0 111.119 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -73.36 -12.86 60.97 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.918 0.487 . . . . 0.0 111.938 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -63.92 129.73 41.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.83 -154.99 25.99 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 m -136.99 152.94 50.73 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.886 0.474 . . . . 0.0 109.8 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -147.52 165.23 30.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.0 156.5 46.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.315 0.646 . . . . 0.0 110.272 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -92.98 154.49 18.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -132.88 130.89 40.29 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 122.66 0.384 . . . . 0.0 110.423 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.1 tp -103.08 146.47 28.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.0 0.92 . . . . 0.0 110.377 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -150.15 119.91 7.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.4 ttm-85 -150.88 131.42 13.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.979 0.912 . . . . 0.0 108.585 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.34 -139.38 47.97 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -80.01 -12.64 59.69 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.481 -0.423 . . . . 0.0 111.139 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -86.96 144.2 27.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.511 0.724 . . . . 0.0 112.886 -175.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -144.85 150.12 36.56 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.796 1.238 . . . . 0.0 108.245 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.446 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 70.6 t-105 -152.25 154.0 34.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.478 0.18 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.4 t -123.57 129.71 51.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.045 0.538 . . . . 0.0 110.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.303 80.1 m-85 -84.43 63.07 7.61 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -174.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -142.9 160.17 40.84 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.264 0.626 . . . . 0.0 109.788 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.231 0.132 0 C-N-CA 122.669 0.387 . . . . 0.0 111.168 -177.304 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -144.86 135.28 24.31 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.615 0.245 . . . . 0.0 111.627 -173.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.9 t -159.79 158.44 31.14 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.383 0.673 . . . . 0.0 111.361 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -83.9 171.56 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.856 0.462 . . . . 0.0 110.985 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.33 170.61 15.75 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 124.154 0.981 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.5 131.4 46.43 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 t -111.25 142.58 43.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.98 139.06 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.8 m-85 -127.87 145.87 50.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.4 t -135.63 143.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -132.86 143.86 49.8 Favored 'General case' 0 CA--C 1.527 0.062 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.36 139.37 58.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.399 0.28 . . . . 0.0 110.83 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.46 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.901 0 CA-C-O 119.586 -0.563 . . . . 0.0 112.756 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.82 142.49 45.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.273 1.037 . . . . 0.0 113.786 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.62 -15.35 36.54 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.712 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -84.93 118.46 24.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.667 1.234 . . . . 0.0 112.623 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -137.21 151.04 48.31 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 122.43 0.292 . . . . 0.0 110.582 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.42 147.91 29.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -128.33 126.37 40.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.002 0.521 . . . . 0.0 109.604 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.0 p -156.63 156.34 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 C-N-CA 123.49 0.716 . . . . 0.0 110.822 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.26 118.8 9.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -67.44 -20.84 65.55 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -174.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.1 tp -153.21 124.19 7.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.168 0.44 . . . . 0.0 110.34 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.05 147.45 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 139.63 39.65 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.4 155.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.036 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -84.55 157.76 21.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.82 142.81 48.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.44 7.49 65.13 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 119.056 -0.858 . . . . 0.0 114.971 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -146.66 176.92 9.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.008 1.404 . . . . 0.0 111.304 176.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -91.4 165.92 13.15 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -169.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.36 144.85 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 124.372 1.069 . . . . 0.0 109.281 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -108.13 142.46 38.29 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.457 0.703 . . . . 0.0 110.021 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -136.33 86.32 24.71 Favored Pre-proline 0 N--CA 1.455 -0.207 0 C-N-CA 123.864 0.866 . . . . 0.0 111.415 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.85 141.83 45.94 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.985 2.456 . . . . 0.0 111.033 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.8 p -161.39 166.87 26.71 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.339 0.256 . . . . 0.0 111.178 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.3 p -153.22 168.64 25.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.802 0.441 . . . . 0.0 111.289 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -138.4 168.97 18.63 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.9 t -147.9 147.29 29.57 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.527 0.731 . . . . 0.0 109.97 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -152.57 156.01 33.04 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.42 157.18 62.96 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.109 2.539 . . . . 0.0 110.27 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.5 tt0 -79.02 -1.11 34.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.321 0.648 . . . . 0.0 112.352 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.74 129.5 40.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.14 7.35 73.63 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.152 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.471 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -153.83 167.91 28.08 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.933 1.367 . . . . 0.0 112.472 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.33 168.85 18.14 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.12 -10.92 16.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -97.34 -14.12 21.48 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.026 0.53 . . . . 0.0 111.354 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.01 145.78 86.68 Favored Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.14 164.6 35.14 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.913 3.076 . . . . 0.0 110.534 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -142.47 144.67 24.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.35 168.16 24.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.387 1.075 . . . . 0.0 110.924 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.46 158.04 27.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -150.96 171.01 17.95 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -136.91 149.25 47.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.824 1.25 . . . . 0.0 111.474 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -146.1 153.4 40.65 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -76.0 146.4 39.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.757 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.86 154.22 58.57 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.476 2.784 . . . . 0.0 110.145 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -83.42 -16.64 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.84 153.68 19.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.057 0.943 . . . . 0.0 109.502 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.77 164.28 29.01 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.579 0.352 . . . . 0.0 111.382 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -115.86 -2.91 12.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.589 0.755 . . . . 0.0 110.903 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.255 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.7 172.06 15.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.44 148.87 26.63 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.42 0.688 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.85 -22.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -83.07 -12.72 56.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.001 0.364 . . . . 0.0 111.433 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -114.88 -1.8 13.07 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 129.78 42.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.24 2.63 63.2 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.176 -0.791 . . . . 0.0 113.121 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -122.12 -32.58 3.66 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.294 1.047 . . . . 0.0 112.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.7 m-85 -97.19 136.85 37.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 175.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.53 154.37 30.2 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 120.511 0.196 . . . . 0.0 110.807 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.0 mt -106.03 145.18 31.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.465 0.306 . . . . 0.0 110.531 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.5 mt -121.82 174.39 6.89 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.385 1.074 . . . . 0.0 110.356 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 171.53 42.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -86.56 123.39 31.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.4 pt -69.08 -21.16 25.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 122.556 0.342 . . . . 0.0 111.236 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -84.41 -12.61 54.09 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.059 0.391 . . . . 0.0 110.871 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.3 t -94.48 11.74 29.75 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.656 0.782 . . . . 0.0 109.891 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 59.47 28.42 17.8 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.135 0.974 . . . . 0.0 112.691 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -78.88 143.08 36.25 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 174.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.6 p -129.19 9.65 5.71 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 111.38 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.1 m -45.02 115.61 0.93 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.272 1.029 . . . . 0.0 111.705 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.5 tp -90.65 144.04 26.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.7 t -134.09 134.83 42.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 68.3 mt -115.1 140.05 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 -122.94 142.42 50.84 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.746 0.819 . . . . 0.0 109.919 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 47.05 55.41 8.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 149.92 13.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -133.83 164.77 26.5 Favored 'General case' 0 CA--C 1.523 -0.06 0 C-N-CA 123.703 0.801 . . . . 0.0 109.683 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.57 -19.64 50.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -75.9 -14.78 60.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.672 0.389 . . . . 0.0 112.019 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.19 -13.56 59.62 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.574 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.2 tttt -66.11 134.48 52.89 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.072 0.549 . . . . 0.0 109.636 177.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.66 -149.82 21.82 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.9 m -138.32 153.17 49.01 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.166 0.587 . . . . 0.0 110.273 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -144.93 165.1 29.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.07 0.462 . . . . 0.0 109.947 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -140.38 156.96 46.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.251 28.6 t80 -94.69 154.62 17.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -131.28 133.76 45.73 Favored 'General case' 0 N--CA 1.458 -0.041 0 C-N-CA 122.657 0.383 . . . . 0.0 110.252 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.5 tp -103.67 147.34 27.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.679 0.791 . . . . 0.0 110.574 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.8 117.34 7.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -148.97 122.1 8.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.77 -138.33 47.2 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -81.62 -3.97 54.85 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 122.636 -0.332 . . . . 0.0 111.477 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -96.99 143.94 27.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.131 0.573 . . . . 0.0 112.258 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.55 146.2 34.39 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.512 1.125 . . . . 0.0 108.045 175.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 69.8 t-105 -150.64 156.07 40.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.518 0.145 . . . . 0.0 111.057 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -125.13 131.67 53.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.078 0.551 . . . . 0.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.293 77.5 m-85 -86.81 60.89 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -173.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -141.26 155.72 45.97 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.455 -0.187 0 C-N-CA 122.456 0.303 . . . . 0.0 111.729 -176.205 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -145.7 131.32 18.86 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-O 121.153 0.501 . . . . 0.0 111.076 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.1 t -158.12 146.51 18.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.127 0.971 . . . . 0.0 109.874 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.401 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 61.7 pttt -71.24 168.61 16.92 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.257 0.623 . . . . 0.0 111.045 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -133.01 170.24 15.67 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.216 1.006 . . . . 0.0 111.218 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.0 tp -100.61 126.36 47.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.5 t -105.22 142.91 34.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 68.1 t -128.06 141.37 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.574 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.1 m-85 -130.07 147.01 51.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.07 143.67 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 122.935 0.494 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -131.74 143.22 50.08 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.77 141.3 58.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.714 0.292 . . . . 0.0 110.554 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 122.43 0.292 . . . . 0.0 110.54 -177.222 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.903 0 CA-C-O 119.578 -0.568 . . . . 0.0 113.409 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -59.99 148.67 34.53 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 174.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.25 -15.16 9.35 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.789 0.709 . . . . 0.0 112.83 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.84 113.72 19.97 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -136.27 150.82 49.1 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.514 0.326 . . . . 0.0 110.549 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -148.46 147.45 29.15 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -128.5 126.61 40.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.3 p -157.72 156.07 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.485 0.714 . . . . 0.0 110.731 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -65.72 116.4 6.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -69.9 -16.01 63.16 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.44 123.32 7.46 Favored 'General case' 0 C--N 1.337 0.053 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.71 147.65 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.58 141.24 45.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 177.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -153.52 155.13 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 122.48 0.312 . . . . 0.0 111.195 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -87.15 155.96 19.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.911 -0.493 . . . . 0.0 109.856 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -67.85 143.06 55.92 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.993 -0.442 . . . . 0.0 110.988 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.62 6.05 68.34 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.706 -1.052 . . . . 0.0 115.071 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -146.13 173.15 12.45 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.533 1.666 . . . . 0.0 111.863 176.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -91.84 166.61 12.65 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -171.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.73 157.03 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.514 1.126 . . . . 0.0 109.076 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -120.1 140.51 50.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.697 0.799 . . . . 0.0 110.341 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.99 90.17 27.33 Favored Pre-proline 0 CA--C 1.53 0.173 0 C-N-CA 124.006 0.922 . . . . 0.0 111.175 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.67 143.42 46.42 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.207 2.605 . . . . 0.0 111.553 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.482 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.3 p -161.88 166.85 25.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.532 0.206 . . . . 0.0 111.307 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -152.78 168.85 24.35 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.856 0.462 . . . . 0.0 111.19 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -139.44 170.5 15.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -148.04 148.52 30.77 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 109.943 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -152.49 155.8 33.02 Favored Pre-proline 0 CA--C 1.53 0.197 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -173.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 156.78 64.77 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.993 2.462 . . . . 0.0 109.931 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.452 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.8 tt0 -81.22 -1.13 43.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.941 0.496 . . . . 0.0 112.017 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -67.12 137.79 56.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.81 4.18 90.39 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.379 -0.679 . . . . 0.0 114.382 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.86 166.2 32.17 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 118.837 1.318 . . . . 0.0 112.086 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.64 163.64 24.63 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -64.07 -20.28 65.82 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -82.99 -15.79 49.79 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.806 0.442 . . . . 0.0 111.613 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -72.43 146.83 89.47 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -71.36 159.73 50.81 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.672 2.915 . . . . 0.0 109.983 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -140.53 146.42 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.767 0.427 . . . . 0.0 110.406 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -149.12 168.46 23.15 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.83 1.252 . . . . 0.0 110.194 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.81 158.43 27.66 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -149.97 174.94 12.15 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -136.33 149.05 48.21 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 124.224 1.009 . . . . 0.0 111.36 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.3 150.54 40.97 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.21 135.32 37.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.692 -176.259 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.83 153.94 58.72 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 123.096 2.531 . . . . 0.0 110.581 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.87 -14.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.078 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.19 154.63 19.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.442 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 t -160.08 164.58 32.97 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -118.5 -2.99 10.94 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.689 0.796 . . . . 0.0 110.641 174.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 . . . . . 0 N--CA 1.45 -0.439 0 C-N-CA 123.581 0.752 . . . . 0.0 109.144 177.06 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.38 0.134 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.31 173.59 13.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 123.816 0.847 . . . . 0.0 112.158 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -58.82 146.72 36.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.159 0.584 . . . . 0.0 110.958 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.7 65.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.889 -175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.8 -9.34 56.05 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 118.299 0.5 . . . . 0.0 111.366 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.439 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.97 -10.43 12.9 Favored 'General case' 0 C--O 1.227 -0.087 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -61.43 134.51 56.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.88 0.372 . . . . 0.0 110.04 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.38 2.89 85.24 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.818 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 mtm105 -131.45 -41.18 1.09 Allowed 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.395 1.098 . . . . 0.0 112.226 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.439 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -84.68 137.08 33.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -155.65 149.21 25.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.52 0.2 . . . . 0.0 110.735 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.0 mt -102.0 144.52 30.5 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.858 -0.155 . . . . 0.0 110.669 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.6 mt -119.97 173.19 7.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.783 0.833 . . . . 0.0 110.599 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.9 174.74 43.04 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.33 123.55 34.18 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.7 pt -68.92 -22.39 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 122.568 0.347 . . . . 0.0 110.957 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -82.6 -13.13 57.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.128 0.422 . . . . 0.0 110.867 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 t -94.77 12.6 27.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.476 0.71 . . . . 0.0 109.83 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 60.19 27.33 16.81 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.123 0.969 . . . . 0.0 112.95 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -78.3 143.54 36.89 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.2 p -127.89 10.0 6.43 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.961 0.504 . . . . 0.0 111.32 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -44.73 133.18 6.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.759 0.824 . . . . 0.0 111.599 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -116.77 146.47 42.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.613 0.765 . . . . 0.0 109.051 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -135.01 134.45 40.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.42 133.48 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -113.27 143.96 43.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.146 0.579 . . . . 0.0 109.812 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 46.88 53.12 10.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.92 25.0 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.661 0.267 . . . . 0.0 111.675 -173.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -118.67 162.63 18.1 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.847 0.859 . . . . 0.0 109.232 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.23 -22.04 66.61 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.13 -0.356 . . . . 0.0 111.332 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -82.32 -13.86 56.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.732 0.413 . . . . 0.0 111.496 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.16 -10.83 60.3 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.594 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.4 tttt -63.89 134.27 54.84 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.985 0.914 . . . . 0.0 109.124 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.03 -150.01 21.56 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.4 m -141.96 156.4 45.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.044 0.538 . . . . 0.0 110.429 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -148.61 167.24 25.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -174.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -145.01 158.02 43.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 30.5 t80 -92.92 154.19 18.34 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -129.8 134.41 47.55 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.631 0.373 . . . . 0.0 110.242 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.0 tp -106.86 145.14 32.52 Favored 'General case' 0 C--O 1.227 -0.088 0 C-N-CA 124.0 0.92 . . . . 0.0 110.509 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -150.21 119.6 6.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.033 0.533 . . . . 0.0 109.823 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -153.75 131.51 11.56 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.26 47.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 m -84.36 -0.16 51.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 117.032 0.416 . . . . 0.0 111.427 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -96.98 139.16 33.42 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.211 0.604 . . . . 0.0 112.036 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -142.79 142.62 31.92 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.732 1.213 . . . . 0.0 109.121 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.44 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.5 t-105 -152.97 154.96 36.05 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.3 p -128.61 132.78 48.17 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.958 0.503 . . . . 0.0 110.018 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.285 80.8 m-85 -82.79 63.81 7.09 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -140.66 161.04 38.7 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.397 0.679 . . . . 0.0 109.364 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 CA--C 1.532 0.251 0 C-N-CA 122.571 0.349 . . . . 0.0 111.554 -179.806 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.282 17.7 t80 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -146.33 143.13 28.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.675 0.274 . . . . 0.0 110.69 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.1 t -157.56 162.25 38.78 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.235 0.614 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.96 170.0 17.34 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.046 0.539 . . . . 0.0 110.996 -179.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -140.12 167.28 22.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.762 0.825 . . . . 0.0 110.199 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.3 tp -100.48 127.15 46.91 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.4 t -105.96 142.53 35.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.0 t -126.0 136.32 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.763 0.425 . . . . 0.0 109.964 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.594 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.8 m-85 -125.0 147.35 48.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.1 t -135.98 143.36 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.68 146.06 49.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.4 140.31 58.86 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.082 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.355 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.529 0.927 0 CA-C-O 119.784 -0.453 . . . . 0.0 113.344 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.0 147.24 53.83 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.359 1.079 . . . . 0.0 111.155 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 -16.44 18.53 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.102 0.858 . . . . 0.0 113.048 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.65 116.1 21.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.314 1.057 . . . . 0.0 112.438 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.8 mt -137.14 151.99 49.45 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 122.885 0.474 . . . . 0.0 110.472 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -148.53 147.84 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -129.94 127.37 39.95 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.3 p -157.69 156.26 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.163 0.585 . . . . 0.0 110.517 -176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.45 118.6 9.65 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -70.69 -17.53 62.84 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -174.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -152.24 123.07 7.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.097 0.408 . . . . 0.0 110.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.74 148.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 124.482 1.113 . . . . 0.0 108.183 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.87 140.83 42.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 177.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -152.65 153.77 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.852 0.461 . . . . 0.0 110.869 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -86.68 156.22 20.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.0 140.27 55.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.139 -0.35 . . . . 0.0 110.409 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.02 6.09 65.44 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.626 -1.096 . . . . 0.0 114.754 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.05 174.58 10.92 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.294 1.547 . . . . 0.0 111.498 176.172 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -91.96 167.77 11.88 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.87 154.89 6.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 124.642 1.177 . . . . 0.0 109.404 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -118.78 141.12 48.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.391 0.677 . . . . 0.0 110.06 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.8 t -134.59 88.78 28.01 Favored Pre-proline 0 N--CA 1.458 -0.074 0 C-N-CA 123.731 0.812 . . . . 0.0 110.923 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.6 141.14 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 122.962 2.441 . . . . 0.0 111.302 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HB3' HG23 ' A' ' 15' ' ' VAL . 17.0 p -161.63 166.49 26.75 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.767 0.318 . . . . 0.0 111.35 178.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.5 p -153.64 168.2 27.02 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -137.98 170.26 16.36 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.9 t -147.61 149.79 33.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.795 0.838 . . . . 0.0 110.059 177.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -152.84 155.96 32.62 Favored Pre-proline 0 C--O 1.234 0.239 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.78 159.92 51.75 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.24 2.626 . . . . 0.0 109.986 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.5 tt0 -77.62 -0.82 28.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.899 0.48 . . . . 0.0 112.036 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.58 126.24 28.7 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.41 68.39 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.097 -0.835 . . . . 0.0 114.323 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -151.3 167.55 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.951 1.376 . . . . 0.0 112.532 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.29 165.85 20.61 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.89 -7.54 5.33 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 115.219 1.562 . . . . 0.0 115.219 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -109.72 -3.84 16.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.76 0.424 . . . . 0.0 111.934 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.0 146.01 84.41 Favored Pre-proline 0 N--CA 1.454 -0.275 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.07 159.95 48.74 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.705 2.937 . . . . 0.0 110.04 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.83 141.62 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.67 0.388 . . . . 0.0 110.311 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -149.25 170.54 18.24 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 124.524 1.13 . . . . 0.0 110.493 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.71 162.84 28.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -151.68 175.41 12.41 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -174.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -136.72 150.53 48.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.322 1.049 . . . . 0.0 111.812 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.84 153.05 41.2 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -75.19 136.72 41.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 121.044 0.45 . . . . 0.0 110.736 -175.806 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.601 0.239 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.96 158.02 46.52 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.444 2.763 . . . . 0.0 110.456 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -84.79 -15.16 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.98 155.29 23.08 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.098 0.959 . . . . 0.0 109.617 175.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -161.17 165.96 28.63 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-O 120.85 0.357 . . . . 0.0 111.624 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -121.27 0.33 10.05 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.602 0.761 . . . . 0.0 110.807 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 176.729 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.08 172.45 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -58.52 146.82 34.18 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.072 0.549 . . . . 0.0 111.079 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.24 65.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.586 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -82.1 -8.4 59.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.94 0.337 . . . . 0.0 110.993 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.4 p -123.59 -0.65 8.61 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -61.14 128.91 38.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.31 2.58 59.58 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 119.444 -0.642 . . . . 0.0 113.342 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -121.63 -29.64 4.34 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.506 1.153 . . . . 0.0 112.122 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -97.75 138.63 34.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.8 153.47 28.36 Favored 'General case' 0 N--CA 1.458 -0.067 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -108.41 145.07 35.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.483 0.313 . . . . 0.0 110.256 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.51 168.84 10.3 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.065 0.946 . . . . 0.0 110.301 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.53 174.57 46.41 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.35 138.7 31.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.32 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 C-N-CA 122.563 0.345 . . . . 0.0 110.985 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -83.22 -13.2 55.83 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.842 0.457 . . . . 0.0 111.332 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.4 t -91.76 7.56 41.17 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.214 0.605 . . . . 0.0 110.556 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 57.91 27.75 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.044 0.937 . . . . 0.0 112.453 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -78.52 142.78 37.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -127.87 8.38 6.25 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.083 0.553 . . . . 0.0 111.523 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -44.43 116.99 1.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.172 0.989 . . . . 0.0 111.653 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.3 tp -95.04 145.99 24.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.358 0.663 . . . . 0.0 109.598 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -134.87 133.52 39.77 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.87 132.28 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -113.76 140.93 47.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.767 0.827 . . . . 0.0 109.873 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 47.37 56.19 7.27 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.09 149.93 18.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -135.09 163.57 29.61 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.796 0.838 . . . . 0.0 109.608 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.57 -21.46 60.35 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -80.19 -12.77 59.61 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -75.93 -12.04 60.07 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.13 -0.356 . . . . 0.0 110.901 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.598 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -64.99 132.29 48.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.142 0.577 . . . . 0.0 109.481 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.87 -149.58 21.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.3 m -141.29 154.38 45.7 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.956 0.502 . . . . 0.0 110.936 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -147.77 167.41 24.77 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -144.52 160.23 41.46 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -94.82 154.41 17.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.96 135.06 47.88 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.764 0.425 . . . . 0.0 110.584 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.99 145.37 31.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.418 1.087 . . . . 0.0 110.37 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -150.59 120.13 6.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -153.6 130.33 10.82 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.87 -139.86 45.15 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.5 m -81.5 -4.71 56.7 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.356 -0.496 . . . . 0.0 111.55 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.0 ttp -88.89 139.02 30.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.705 0.802 . . . . 0.0 112.22 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 146.46 34.06 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 173.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.5 t-105 -156.27 151.16 26.15 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.805 0.275 . . . . 0.0 110.821 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.5 m -121.5 129.25 52.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.086 0.554 . . . . 0.0 110.022 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.284 76.4 m-85 -82.73 64.94 7.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.16 159.07 42.98 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.591 0.356 . . . . 0.0 110.128 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.121 0.486 . . . . 0.0 111.92 -176.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 32.4 t80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -146.35 154.03 41.2 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.136 0.493 . . . . 0.0 111.153 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -164.63 153.18 12.57 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.54 169.57 13.92 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.152 0.501 . . . . 0.0 110.888 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -137.0 166.52 23.47 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.889 0.875 . . . . 0.0 110.739 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.59 126.34 47.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.453 0.701 . . . . 0.0 109.401 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.7 t -105.25 143.14 33.84 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -127.99 140.59 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 122.852 0.461 . . . . 0.0 109.923 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.598 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.2 m-85 -129.05 148.29 50.99 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.004 0.522 . . . . 0.0 111.759 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -135.46 143.99 46.19 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 105.486 -2.042 . . . . 0.0 105.486 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.18 139.67 58.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.847 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.19 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.27 143.56 52.46 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.241 1.021 . . . . 0.0 113.188 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.67 -15.03 54.07 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 123.839 0.733 . . . . 0.0 112.725 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -86.33 119.77 26.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.034 0.917 . . . . 0.0 112.479 174.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -136.08 158.6 44.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.667 0.27 . . . . 0.0 110.678 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -144.58 147.49 33.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.699 0.8 . . . . 0.0 109.687 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -131.64 114.08 14.37 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -154.16 153.83 7.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 123.018 0.527 . . . . 0.0 110.663 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -66.7 118.65 10.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.92 -18.14 64.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.52 125.56 7.89 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.328 0.513 . . . . 0.0 110.14 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.39 150.69 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.58 142.89 43.39 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 177.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.24 155.74 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.916 0.486 . . . . 0.0 110.969 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.427 ' HB2' HD11 ' A' ' 25' ' ' LEU . 36.7 mt-30 -90.07 154.81 19.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.21 142.86 56.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.195 -0.315 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.24 3.85 72.07 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.911 -0.938 . . . . 0.0 114.946 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.6 176.07 9.89 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.259 1.53 . . . . 0.0 111.878 176.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -91.58 170.11 10.2 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -169.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.52 154.74 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 124.59 1.156 . . . . 0.0 108.936 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -119.91 139.44 52.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.225 0.61 . . . . 0.0 109.729 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.7 t -134.08 89.79 27.89 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.004 0.922 . . . . 0.0 111.228 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.8 143.59 46.24 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.148 2.565 . . . . 0.0 110.822 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 p -161.1 167.0 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 111.005 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.0 t -152.59 169.47 22.59 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.387 0.675 . . . . 0.0 110.404 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.46 169.97 16.67 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -146.3 149.5 33.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -153.52 156.39 32.31 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -172.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.32 157.78 60.37 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.357 2.705 . . . . 0.0 109.805 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -82.19 -2.31 51.87 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -70.05 133.62 47.4 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.67 2.12 79.43 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.242 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.429 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -148.88 163.95 35.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.15 1.475 . . . . 0.0 112.461 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.72 166.58 17.88 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 176.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -64.53 -19.58 65.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -88.36 -9.9 51.16 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.779 0.432 . . . . 0.0 112.129 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -76.58 147.74 78.89 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.59 160.62 47.8 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.776 2.984 . . . . 0.0 110.267 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.74 146.08 21.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -147.79 164.66 32.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.571 1.149 . . . . 0.0 109.891 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.84 155.15 24.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -148.28 169.96 18.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -137.47 147.09 45.03 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.458 1.103 . . . . 0.0 111.365 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -144.57 151.83 39.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.82 0.448 . . . . 0.0 111.662 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -70.86 145.64 50.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.096 178.063 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.09 155.41 52.35 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.013 2.475 . . . . 0.0 110.019 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 122.247 -0.283 . . . . 0.0 111.395 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.55 152.42 12.06 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.301 1.04 . . . . 0.0 108.85 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.5 t -161.73 154.91 20.86 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.847 -0.533 . . . . 0.0 112.374 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -92.02 -10.86 37.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.635 0.774 . . . . 0.0 111.023 173.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.765 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.73 173.15 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 123.316 0.647 . . . . 0.0 111.803 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.64 144.3 43.61 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.564 0.346 . . . . 0.0 111.002 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.04 66.26 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.16 -9.12 58.82 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.019 0.372 . . . . 0.0 111.403 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -115.23 0.38 13.5 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.16 123.58 17.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.42 -4.71 32.72 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.088 -0.84 . . . . 0.0 113.82 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mtm105 -107.67 -30.17 8.72 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.786 1.293 . . . . 0.0 111.83 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -93.54 142.35 27.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.66 147.42 21.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 mt -102.18 144.4 30.77 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.8 mt -118.23 176.53 5.18 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.853 0.861 . . . . 0.0 110.233 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.23 -150.11 33.22 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -140.88 130.29 23.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.45 -29.73 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.936 0.495 . . . . 0.0 111.496 -177.097 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -79.92 -4.07 50.83 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.794 0.438 . . . . 0.0 110.645 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -109.69 13.84 23.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.284 1.034 . . . . 0.0 110.02 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 59.09 21.64 9.63 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.49 1.116 . . . . 0.0 113.537 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -82.95 141.99 31.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.01 11.52 8.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.044 0.537 . . . . 0.0 111.883 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.5 m -45.19 134.43 6.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.491 0.716 . . . . 0.0 112.174 -171.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.6 tp -118.1 149.02 41.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.027 0.931 . . . . 0.0 109.072 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -139.78 135.41 33.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 122.501 0.32 . . . . 0.0 110.4 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.19 132.27 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -112.7 141.82 46.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.35 0.66 . . . . 0.0 109.589 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 48.03 55.02 9.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.65 150.07 16.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 112.004 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -135.0 164.01 28.59 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.238 1.015 . . . . 0.0 109.553 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.18 -20.19 57.5 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.9 -17.96 58.61 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.018 0.372 . . . . 0.0 111.886 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -72.72 -13.11 61.26 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.1 tttt -65.88 128.88 37.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 109.7 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.82 -151.14 22.68 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.5 m -140.59 153.9 46.28 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.913 0.485 . . . . 0.0 110.848 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -148.34 165.95 29.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.19 156.93 45.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.033 0.533 . . . . 0.0 111.071 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -88.0 154.72 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -136.69 132.88 35.51 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.056 0.389 . . . . 0.0 110.824 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.3 tp -104.06 146.36 28.83 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.168 0.987 . . . . 0.0 110.165 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -150.13 121.27 7.76 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -153.89 131.19 11.21 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 123.631 0.772 . . . . 0.0 109.244 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.1 -138.89 49.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.6 p -84.78 -9.08 58.52 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 117.445 0.623 . . . . 0.0 110.654 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.7 ttp -86.11 138.68 31.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.853 0.861 . . . . 0.0 111.637 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -154.51 149.73 27.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.4 t-105 -154.76 139.04 16.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.394 0.14 . . . . 0.0 111.335 -174.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.7 p -101.13 130.11 47.13 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.008 0.523 . . . . 0.0 109.684 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.271 79.3 m-85 -82.87 61.28 5.83 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -137.99 160.29 39.74 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.019 0.528 . . . . 0.0 110.17 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 CA--C 1.532 0.269 0 C-N-CA 122.977 0.511 . . . . 0.0 111.318 -178.59 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.5 t80 . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -145.98 139.03 25.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 117.776 0.262 . . . . 0.0 110.746 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.2 t -158.74 156.88 30.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.463 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -74.98 168.45 19.94 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.198 0.599 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -136.77 169.7 17.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.019 0.927 . . . . 0.0 110.319 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.19 120.45 39.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 142.8 30.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.08 139.92 50.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.8 m-85 -127.27 148.04 50.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.3 t -135.05 143.52 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 122.741 0.416 . . . . 0.0 111.753 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.77 144.93 46.07 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 140.91 58.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.529 0.964 0 CA-C-O 119.946 -0.363 . . . . 0.0 112.826 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.51 140.64 53.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.37 -14.29 46.43 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 123.613 0.625 . . . . 0.0 113.062 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -85.0 119.0 24.91 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.973 0.887 . . . . 0.0 113.146 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -138.85 151.02 46.65 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 118.054 0.388 . . . . 0.0 110.476 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.44 148.46 30.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.851 0.46 . . . . 0.0 109.767 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -128.76 128.01 43.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.158 0.583 . . . . 0.0 109.636 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -156.45 157.54 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 110.743 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.57 120.35 12.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mp0 -69.4 -21.82 63.74 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -153.3 125.1 7.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.024 0.375 . . . . 0.0 110.05 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 t -119.13 148.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.28 138.84 40.49 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.69 155.69 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 122.735 0.414 . . . . 0.0 111.615 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -89.45 156.96 18.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.46 145.44 54.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.151 -0.343 . . . . 0.0 110.929 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 5.89 68.61 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.082 -0.843 . . . . 0.0 114.758 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.6 171.69 14.34 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.114 1.457 . . . . 0.0 111.305 176.225 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.1 m -92.05 165.92 12.94 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -170.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.16 147.01 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 124.031 0.932 . . . . 0.0 109.681 175.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -109.56 140.48 43.31 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.791 0.836 . . . . 0.0 109.641 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -135.33 90.4 20.83 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 123.865 0.866 . . . . 0.0 111.571 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -66.26 148.86 85.26 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.176 2.584 . . . . 0.0 112.001 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 43.1 t -157.78 150.82 23.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.602 0.761 . . . . 0.0 110.927 -175.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -150.83 162.6 40.44 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.09 0.556 . . . . 0.0 110.858 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -139.68 170.5 15.78 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.4 t -147.55 145.63 29.14 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.79 0.836 . . . . 0.0 109.96 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -154.24 155.68 31.13 Favored Pre-proline 0 CA--C 1.529 0.146 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.58 155.69 67.62 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.108 2.539 . . . . 0.0 110.205 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.0 tt0 -80.94 -1.93 45.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.292 0.637 . . . . 0.0 112.26 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.5 141.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.54 90.59 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.849 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -151.22 166.14 31.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.938 1.369 . . . . 0.0 112.387 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.15 166.76 21.08 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.51 -11.98 19.57 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -98.26 -13.31 20.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.101 0.561 . . . . 0.0 111.76 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.08 146.26 89.73 Favored Pre-proline 0 N--CA 1.454 -0.252 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.41 161.88 44.15 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.75 2.967 . . . . 0.0 109.736 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.7 p -145.33 146.56 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.2 166.4 28.99 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.638 1.175 . . . . 0.0 110.253 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.66 158.49 27.68 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -150.79 168.51 24.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -133.41 146.96 51.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.63 1.172 . . . . 0.0 111.21 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -142.38 149.58 39.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -77.54 136.83 38.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.287 -176.419 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.61 156.28 57.91 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.068 2.512 . . . . 0.0 109.788 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -80.96 -17.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.8 151.32 14.42 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.849 0.86 . . . . 0.0 109.184 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.0 t -161.58 165.75 27.97 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.576 0.351 . . . . 0.0 111.574 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.93 -1.59 12.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.571 0.748 . . . . 0.0 111.004 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.136 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 . . . . . 0 CA--C 1.528 0.126 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.69 171.88 16.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.089 0.556 . . . . 0.0 112.496 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -58.83 144.86 42.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.904 0.482 . . . . 0.0 110.798 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.1 -23.79 65.87 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -84.7 -11.43 55.89 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.112 0.414 . . . . 0.0 111.083 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.446 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -113.34 -0.65 14.46 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.65 130.51 46.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.41 2.88 60.62 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.358 -0.69 . . . . 0.0 113.42 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -121.79 -35.41 3.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.366 1.083 . . . . 0.0 112.139 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.446 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.84 137.85 31.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 175.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.96 150.97 24.84 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.842 0.292 . . . . 0.0 110.68 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.4 mt -101.07 144.88 29.45 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -118.41 168.12 10.94 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.398 0.679 . . . . 0.0 110.089 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.96 175.14 41.47 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -95.53 134.14 38.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.14 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-O 120.744 0.306 . . . . 0.0 110.465 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -78.6 -13.05 60.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.359 0.664 . . . . 0.0 110.512 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -96.84 10.85 37.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.735 0.814 . . . . 0.0 109.741 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 60.53 25.8 15.46 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.544 1.137 . . . . 0.0 113.099 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -79.05 147.23 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 2.1 p -134.58 15.12 3.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.123 0.969 . . . . 0.0 111.299 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.3 m -52.54 133.02 36.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.321 0.649 . . . . 0.0 111.0 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -111.16 146.11 37.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.975 0.91 . . . . 0.0 108.745 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -136.55 137.11 39.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.6 mt -116.97 124.85 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -101.24 138.26 38.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.48 0.712 . . . . 0.0 109.747 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 46.07 59.45 3.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.8 150.61 12.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 120.959 0.409 . . . . 0.0 111.9 -174.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -137.0 166.37 23.82 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.072 0.949 . . . . 0.0 109.76 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.02 -17.76 54.02 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -75.38 -15.14 60.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -81.0 -12.85 59.29 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.553 0.341 . . . . 0.0 111.54 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.553 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 87.1 tttt -67.24 134.81 52.35 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.014 0.526 . . . . 0.0 109.672 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.47 -153.54 25.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.3 m -135.92 152.05 50.6 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.082 0.553 . . . . 0.0 110.456 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -145.64 165.99 27.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.65 157.18 44.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 23.4 t80 -96.84 154.62 17.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -133.14 133.14 42.47 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.755 0.422 . . . . 0.0 110.575 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.5 tp -105.67 146.38 29.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.049 0.94 . . . . 0.0 110.433 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -150.87 119.14 6.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.988 0.515 . . . . 0.0 109.64 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -153.1 132.42 12.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.74 -141.6 44.55 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -81.82 -3.89 55.09 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.447 -0.443 . . . . 0.0 111.432 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -92.45 142.36 27.51 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.4 0.619 . . . . 0.0 112.058 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.53 145.92 32.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.777 1.231 . . . . 0.0 107.868 174.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.3 t-105 -152.99 152.63 31.62 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-N 117.61 0.187 . . . . 0.0 110.961 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 t -120.61 130.16 54.05 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 123.028 0.531 . . . . 0.0 109.92 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.263 79.1 m-85 -87.26 66.64 9.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -144.01 157.8 44.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.916 0.388 . . . . 0.0 111.544 -178.138 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.6 t80 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -146.1 140.07 26.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.647 0.261 . . . . 0.0 111.115 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.4 t -160.43 166.05 29.95 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.728 0.811 . . . . 0.0 110.229 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -75.39 164.6 26.23 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.247 0.546 . . . . 0.0 112.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -140.4 159.09 42.96 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.579 1.152 . . . . 0.0 109.592 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.5 tp -100.7 128.72 46.64 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -108.17 142.84 37.79 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.63 141.72 45.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 35.0 m-85 -129.94 145.8 51.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.0 t -136.63 143.21 35.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 122.775 0.43 . . . . 0.0 111.908 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -134.87 146.33 49.12 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.99 141.38 58.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.522 0.201 . . . . 0.0 110.761 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.703 0.287 . . . . 0.0 110.439 -178.022 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.531 1.041 0 CA-C-O 119.726 -0.486 . . . . 0.0 113.203 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.75 140.93 46.03 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.19 -15.5 44.13 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.245 -0.753 . . . . 0.0 112.864 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -84.7 117.24 23.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.583 1.191 . . . . 0.0 112.637 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt -137.22 151.79 49.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.884 0.311 . . . . 0.0 110.662 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -148.62 146.98 28.45 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -130.76 128.31 40.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 31' ' ' CYS . 13.8 p -157.46 157.64 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.78 0.832 . . . . 0.0 110.101 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -65.79 118.05 9.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.89 -17.55 63.35 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.46 124.97 7.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.106 0.412 . . . . 0.0 110.091 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -120.91 148.68 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.2 1.0 . . . . 0.0 108.431 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.91 141.28 42.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.75 155.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 C-N-CA 122.85 0.46 . . . . 0.0 111.541 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HB2' HD11 ' A' ' 25' ' ' LEU . 33.6 mt-30 -87.69 157.94 18.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.37 175.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -71.9 140.66 49.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.212 -0.305 . . . . 0.0 110.504 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.87 4.46 65.17 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.851 -0.971 . . . . 0.0 114.642 175.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.69 174.81 10.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.029 1.414 . . . . 0.0 111.633 177.158 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -91.79 169.62 10.55 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.07 155.35 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 C-N-CA 124.784 1.234 . . . . 0.0 109.302 173.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -120.39 141.38 50.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.443 0.697 . . . . 0.0 110.239 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 t -134.71 88.53 28.08 Favored Pre-proline 0 CA--C 1.528 0.105 0 C-N-CA 123.651 0.78 . . . . 0.0 111.191 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -71.2 142.27 41.31 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.1 2.533 . . . . 0.0 111.319 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.9 p -161.96 166.89 25.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.36 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.8 p -153.79 170.55 20.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.902 0.481 . . . . 0.0 111.331 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.34 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -146.71 148.83 32.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.659 0.783 . . . . 0.0 110.087 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -154.6 156.63 31.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -67.08 157.84 59.74 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.305 2.67 . . . . 0.0 110.281 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.96 -2.21 46.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.198 0.599 . . . . 0.0 112.505 -176.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.52 133.27 47.48 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.26 2.58 79.97 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.341 -0.7 . . . . 0.0 114.361 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.4 p-90 -149.53 167.43 26.31 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 118.875 1.337 . . . . 0.0 112.299 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.22 167.13 18.92 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.56 -0.04 0.85 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.3 p -128.1 0.2 5.85 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.922 0.489 . . . . 0.0 112.307 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 92.0 m-20 -72.69 143.82 85.22 Favored Pre-proline 0 N--CA 1.454 -0.229 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 177.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 46.6 Cg_exo -59.28 157.36 30.88 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.258 2.639 . . . . 0.0 111.544 174.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 p -146.03 146.05 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -148.97 166.12 29.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.815 1.246 . . . . 0.0 110.112 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.81 156.44 26.89 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -148.95 169.22 21.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -135.2 147.88 49.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.637 1.175 . . . . 0.0 111.476 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -143.22 148.78 37.0 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -75.92 138.26 40.9 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.891 0.377 . . . . 0.0 110.455 -177.375 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.66 154.58 59.52 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.884 2.389 . . . . 0.0 110.099 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -82.24 -16.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.99 153.79 14.6 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.063 0.945 . . . . 0.0 109.075 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -161.04 155.79 23.68 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -94.26 -12.73 27.54 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.812 0.845 . . . . 0.0 111.19 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.068 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.563 0.22 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.2 170.36 19.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 123.439 0.696 . . . . 0.0 111.381 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -58.44 146.3 35.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.791 0.436 . . . . 0.0 111.102 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.39 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.96 -10.04 51.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.302 0.501 . . . . 0.0 111.486 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -112.97 -9.14 13.63 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.37 132.55 54.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.636 0.374 . . . . 0.0 110.619 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.68 1.96 73.88 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.409 -0.662 . . . . 0.0 113.163 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -128.3 -35.03 2.02 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.277 1.039 . . . . 0.0 112.554 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -86.51 139.28 31.02 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -157.09 147.12 20.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.3 mt -102.27 144.56 30.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -118.29 169.74 9.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.709 0.804 . . . . 0.0 110.739 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.58 173.79 34.59 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -93.87 135.01 35.64 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.438 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -67.91 -26.5 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-O 120.556 0.217 . . . . 0.0 110.45 179.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -79.94 -11.86 59.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.358 0.663 . . . . 0.0 110.563 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -99.56 11.37 39.34 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.165 0.986 . . . . 0.0 110.208 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 59.41 25.37 14.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.198 0.999 . . . . 0.0 112.912 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.04 141.9 37.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -125.67 9.69 7.71 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.06 0.544 . . . . 0.0 111.104 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -46.52 132.65 10.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.81 0.844 . . . . 0.0 111.612 -172.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.2 tp -116.38 148.26 40.81 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.88 0.872 . . . . 0.0 109.052 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.7 t -138.05 136.36 36.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.6 124.81 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -101.97 142.18 33.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.235 0.614 . . . . 0.0 109.686 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 45.2 58.19 4.27 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.72 148.75 15.69 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -171.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -136.28 166.24 23.9 Favored 'General case' 0 N--CA 1.46 0.039 0 C-N-CA 123.683 0.793 . . . . 0.0 109.558 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -61.18 -16.36 43.9 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -72.65 -18.41 61.57 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.02 0.528 . . . . 0.0 111.979 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.39 -15.01 56.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.724 0.41 . . . . 0.0 111.809 -176.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.542 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.24 131.52 45.93 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.54 -149.69 21.59 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.3 m -141.08 153.96 45.71 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.246 0.619 . . . . 0.0 110.227 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -147.31 166.81 25.99 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -142.37 158.85 43.25 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.165 0.586 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 31.8 t80 -94.68 154.52 17.28 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -133.77 132.7 40.82 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.56 0.344 . . . . 0.0 110.26 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.8 tp -103.95 145.8 29.6 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.457 1.103 . . . . 0.0 110.307 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -151.61 119.81 6.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -152.93 131.86 12.51 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.677 0.791 . . . . 0.0 109.449 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.18 -138.51 48.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -175.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.1 p -84.51 -8.29 58.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.047 0.423 . . . . 0.0 110.747 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 40.2 ttp -88.12 142.03 28.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.869 0.867 . . . . 0.0 111.539 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -153.47 151.78 30.23 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.288 0.635 . . . . 0.0 109.625 170.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.461 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.2 t-105 -153.66 154.9 35.03 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -173.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.9 t -120.31 127.36 52.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.835 0.454 . . . . 0.0 110.024 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.274 79.2 m-85 -83.09 62.64 6.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -176.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -138.59 162.1 35.44 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.16 0.584 . . . . 0.0 109.653 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 178.396 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.0 t80 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -146.04 151.0 37.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.945 0.402 . . . . 0.0 110.903 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.9 t -163.01 156.7 20.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.543 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -73.0 169.75 16.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.096 0.474 . . . . 0.0 110.939 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -137.67 165.29 26.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.99 0.916 . . . . 0.0 110.544 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.48 124.29 45.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.7 t -102.91 143.01 33.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 54.3 t -128.21 140.64 48.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 C-N-CA 122.833 0.453 . . . . 0.0 109.959 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.542 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.3 m-85 -128.39 146.7 50.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.79 143.36 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.212 0.605 . . . . 0.0 111.49 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -132.5 140.15 48.23 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.19 141.59 58.72 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.454 -0.247 0 C-N-CA 122.893 0.477 . . . . 0.0 109.714 -178.43 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.409 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.983 0 CA-C-O 119.448 -0.64 . . . . 0.0 113.566 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.61 152.5 45.28 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.659 1.229 . . . . 0.0 108.428 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.92 -15.9 13.9 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.313 -0.715 . . . . 0.0 113.412 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.89 121.12 28.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.459 1.13 . . . . 0.0 110.562 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 mt -138.88 151.89 47.34 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.138 0.575 . . . . 0.0 110.325 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -148.46 148.62 30.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.782 0.433 . . . . 0.0 110.042 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -130.84 126.44 36.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.491 ' H ' ' HE3' ' A' ' 128' ' ' LYS . 11.0 p -157.58 157.63 3.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 123.597 0.759 . . . . 0.0 110.846 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.61 119.66 12.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -68.35 -20.68 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.22 124.64 7.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.984 0.357 . . . . 0.0 110.282 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.16 147.2 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.462 1.105 . . . . 0.0 108.408 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.23 139.79 39.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -154.74 155.49 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 122.865 0.466 . . . . 0.0 111.38 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -84.96 158.7 20.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.026 -0.422 . . . . 0.0 110.104 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.27 143.33 48.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.28 0.232 . . . . 0.0 111.072 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.67 5.48 66.66 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.066 -0.852 . . . . 0.0 114.924 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.12 173.93 11.49 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.81 1.305 . . . . 0.0 111.302 177.007 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -91.98 167.12 12.33 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -170.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.61 155.96 5.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.345 1.058 . . . . 0.0 109.232 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -120.5 140.87 50.8 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.741 0.816 . . . . 0.0 110.296 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.41 88.34 30.09 Favored Pre-proline 0 C--N 1.333 -0.139 0 C-N-CA 123.898 0.879 . . . . 0.0 110.915 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.76 141.89 50.88 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.119 2.546 . . . . 0.0 111.285 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.8 p -162.95 166.95 23.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 111.206 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.2 p -154.03 169.62 23.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.009 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -138.01 168.88 18.8 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -147.38 149.56 33.0 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.475 0.71 . . . . 0.0 110.226 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -153.28 156.53 32.59 Favored Pre-proline 0 CA--C 1.53 0.195 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -174.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.66 154.44 74.41 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.274 2.649 . . . . 0.0 109.922 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -79.16 -0.67 32.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.784 0.434 . . . . 0.0 112.022 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.25 129.9 40.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.52 4.54 70.38 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.23 -0.761 . . . . 0.0 114.271 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -151.14 165.86 32.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.626 1.213 . . . . 0.0 112.782 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.21 166.96 19.99 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -62.46 -13.83 34.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -92.43 -12.3 32.51 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.003 0.521 . . . . 0.0 111.617 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.07 156.17 91.04 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.65 173.07 14.99 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 124.012 3.142 . . . . 0.0 110.697 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.14 143.0 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 123.021 0.528 . . . . 0.0 110.943 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -149.61 163.88 36.67 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.776 0.83 . . . . 0.0 110.822 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.52 156.78 26.4 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -151.44 174.42 13.39 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -138.96 147.82 42.71 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.158 0.983 . . . . 0.0 112.141 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -142.84 150.77 40.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -76.53 136.35 39.3 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 O-C-N 122.077 -0.389 . . . . 0.0 110.661 -176.613 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.41 159.36 43.42 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 123.439 2.759 . . . . 0.0 110.387 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.54 -15.62 10.92 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.17 18.34 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.009 0.924 . . . . 0.0 109.412 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -161.45 162.62 30.59 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.678 0.275 . . . . 0.0 111.215 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -112.95 -1.54 14.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.376 0.67 . . . . 0.0 110.729 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.198 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.671 0.272 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.97 169.34 16.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 123.756 0.823 . . . . 0.0 111.242 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -58.6 147.29 32.95 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.143 0.577 . . . . 0.0 111.519 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.7 63.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -87.41 -9.19 55.39 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.054 0.388 . . . . 0.0 111.091 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.81 -6.54 11.04 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.6 135.01 57.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 110.933 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 4.16 69.71 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.171 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -129.67 -39.43 1.45 Allowed 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.631 1.215 . . . . 0.0 112.688 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -80.05 138.14 36.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -156.73 153.24 28.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.406 0.282 . . . . 0.0 110.54 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.4 mt -108.4 144.27 36.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.656 0.382 . . . . 0.0 110.236 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.3 mt -119.1 170.64 8.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.17 0.988 . . . . 0.0 110.557 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.99 171.67 38.04 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.65 128.21 34.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.8 pt -71.32 -21.23 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -85.06 2.01 45.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.056 0.542 . . . . 0.0 111.213 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -119.49 15.6 12.91 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.028 0.931 . . . . 0.0 110.056 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 59.26 26.88 15.78 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.417 1.087 . . . . 0.0 113.587 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.25 140.36 38.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.6 p -127.41 8.63 6.53 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.104 0.562 . . . . 0.0 111.615 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.0 m -44.48 114.01 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.271 1.028 . . . . 0.0 111.665 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.1 tp -90.69 145.12 25.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -135.13 135.59 41.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 172.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.28 125.08 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -102.49 142.05 34.32 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 45.08 58.53 4.01 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.9 149.81 14.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -134.79 165.7 24.68 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 124.055 0.942 . . . . 0.0 109.302 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.19 -16.99 50.71 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -73.37 -16.88 61.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.565 0.746 . . . . 0.0 112.006 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -84.15 -12.14 55.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.023 0.529 . . . . 0.0 112.214 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.78 133.7 49.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.83 -151.91 23.83 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.5 m -139.78 152.92 46.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.209 0.603 . . . . 0.0 110.138 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -147.36 166.89 25.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -143.91 158.39 43.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.26 21.3 t80 -91.05 154.36 19.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -135.0 144.96 47.66 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 122.626 0.37 . . . . 0.0 110.058 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.9 tp -122.37 144.56 48.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -133.76 125.33 28.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 112' ' ' ARG . 15.0 tpt180 -152.61 114.02 4.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.51 -137.65 45.11 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 m -79.95 -4.71 53.6 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.753 0.277 . . . . 0.0 111.71 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 61.2 ttp -91.97 144.94 24.94 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.367 0.667 . . . . 0.0 111.621 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 148.71 39.1 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 173.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.409 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 69.6 t-105 -156.24 155.75 32.9 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-O 120.431 0.158 . . . . 0.0 110.975 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.3 p -128.17 130.35 47.91 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.227 0.611 . . . . 0.0 110.223 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.276 79.6 m-85 -83.16 56.8 3.65 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -129.88 152.08 49.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.022 0.529 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.456 -0.135 0 C-N-CA 122.876 0.47 . . . . 0.0 111.646 -177.575 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.9 t80 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -145.47 137.84 25.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.917 0.326 . . . . 0.0 111.478 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.1 t -161.51 154.08 20.27 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.717 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.491 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 62.8 pttt -80.8 169.36 17.69 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.128 0.49 . . . . 0.0 110.711 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -133.99 168.75 18.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.594 0.758 . . . . 0.0 111.293 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.54 134.32 43.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.76 0.824 . . . . 0.0 109.033 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.63 143.03 45.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.9 t -127.89 139.21 52.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.2 m-85 -127.78 146.01 50.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.13 143.51 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.006 0.522 . . . . 0.0 111.177 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -133.15 143.41 49.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.79 140.36 56.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.975 0.417 . . . . 0.0 110.119 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 -176.51 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.877 0 CA-C-O 119.693 -0.504 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -66.45 151.89 46.27 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.656 1.228 . . . . 0.0 108.793 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.65 13.86 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.741 0.686 . . . . 0.0 112.836 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -84.54 120.76 26.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.235 1.017 . . . . 0.0 112.837 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.6 mt -140.03 152.36 46.18 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.595 0.358 . . . . 0.0 110.29 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.75 146.75 28.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -130.06 126.5 37.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.958 0.503 . . . . 0.0 109.695 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -156.98 156.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.586 0.754 . . . . 0.0 110.507 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.76 117.43 7.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -67.54 -19.33 65.28 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 tp -153.53 125.23 7.7 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.116 0.416 . . . . 0.0 109.895 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -120.73 147.58 24.45 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 124.483 1.113 . . . . 0.0 108.258 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.23 140.56 41.76 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -155.57 154.03 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 122.561 0.344 . . . . 0.0 111.683 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -84.93 157.88 20.71 Favored 'General case' 0 CA--C 1.529 0.143 0 O-C-N 121.838 -0.539 . . . . 0.0 109.7 174.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -71.33 142.4 50.43 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.063 -0.398 . . . . 0.0 110.648 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.59 5.94 64.5 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.982 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.92 171.38 14.52 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.011 1.405 . . . . 0.0 111.577 176.307 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -91.74 163.66 14.0 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.25 151.01 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.35 1.06 . . . . 0.0 109.075 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -114.23 143.41 44.89 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.409 0.684 . . . . 0.0 110.345 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.5 87.89 25.83 Favored Pre-proline 0 N--CA 1.455 -0.19 0 C-N-CA 123.961 0.904 . . . . 0.0 110.998 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.3 143.16 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.143 2.562 . . . . 0.0 111.273 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.3 p -162.46 166.04 25.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.773 0.321 . . . . 0.0 111.198 178.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -153.01 169.17 23.55 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.047 0.539 . . . . 0.0 111.196 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -140.54 171.66 13.8 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.09 148.04 31.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.539 0.736 . . . . 0.0 110.336 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -154.54 155.27 30.48 Favored Pre-proline 0 N--CA 1.456 -0.163 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -174.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.07 157.71 60.6 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.252 2.635 . . . . 0.0 110.074 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.0 tt0 -80.29 -0.03 34.84 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.965 0.506 . . . . 0.0 112.197 -177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.97 129.05 38.74 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -177.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.85 4.51 72.35 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.394 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.2 p-90 -152.14 166.9 30.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.887 1.343 . . . . 0.0 111.898 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.17 165.69 22.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.1 -13.38 26.15 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 t -95.11 -13.35 25.17 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.619 0.368 . . . . 0.0 111.614 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.86 146.23 87.58 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -71.55 160.71 47.6 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.903 3.069 . . . . 0.0 109.861 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.5 145.47 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 122.779 0.432 . . . . 0.0 110.107 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -148.19 166.09 28.94 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.4 1.08 . . . . 0.0 110.302 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.43 157.65 27.26 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -151.03 170.75 18.62 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -174.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -135.33 147.77 49.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.59 1.156 . . . . 0.0 111.563 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -142.86 154.28 43.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.016 0.527 . . . . 0.0 110.783 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.49 146.58 36.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.37 0.129 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.36 155.98 55.16 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.156 2.57 . . . . 0.0 109.938 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -83.83 -16.41 10.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 176.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 153.0 18.25 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.005 0.922 . . . . 0.0 109.573 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.54 165.06 29.08 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 122.739 0.415 . . . . 0.0 111.38 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -116.11 0.36 12.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.525 0.73 . . . . 0.0 110.785 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 . . . . . 0 N--CA 1.449 -0.516 0 C-N-CA 123.399 0.679 . . . . 0.0 109.25 177.206 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.15 171.75 16.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.729 0.812 . . . . 0.0 111.687 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -58.61 147.3 32.98 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 123.102 0.561 . . . . 0.0 111.232 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.19 63.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.397 0.279 . . . . 0.0 111.646 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -87.74 -7.26 57.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.934 0.334 . . . . 0.0 111.511 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -119.12 -7.77 10.28 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.22 134.47 57.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.924 0.393 . . . . 0.0 110.737 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.22 70.43 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.071 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -129.22 -35.87 1.76 Allowed 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.364 1.082 . . . . 0.0 112.589 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.96 136.56 32.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -157.28 152.96 26.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.625 0.25 . . . . 0.0 110.552 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.7 mt -102.59 144.73 30.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.7 mt -117.81 169.27 9.74 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.902 0.881 . . . . 0.0 110.26 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.27 177.18 42.97 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -94.89 136.34 35.32 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -68.12 -29.08 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.612 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -79.29 -13.02 59.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.353 0.661 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -95.42 9.41 40.1 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.366 0.667 . . . . 0.0 109.752 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 59.09 27.69 16.74 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.255 1.022 . . . . 0.0 112.869 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -79.95 143.22 34.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.7 p -127.71 8.45 6.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.525 0.73 . . . . 0.0 111.141 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -44.6 122.06 2.95 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.112 0.965 . . . . 0.0 111.648 -172.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.0 tp -102.11 143.84 31.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -133.06 133.33 42.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.36 125.11 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -102.98 141.35 35.93 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 44.37 58.51 3.75 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.75 145.87 22.96 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -125.36 163.07 23.39 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -64.55 -9.82 21.72 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -78.5 -17.51 56.14 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.139 0.576 . . . . 0.0 111.984 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.01 -13.88 59.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -66.03 133.38 50.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.934 0.494 . . . . 0.0 109.863 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.43 -150.26 22.34 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.2 m -140.9 153.77 45.84 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 122.94 0.496 . . . . 0.0 110.079 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -147.09 165.39 30.07 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -173.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -138.84 156.72 47.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.207 0.603 . . . . 0.0 110.293 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -92.52 154.47 18.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -131.82 136.41 47.48 Favored 'General case' 0 C--N 1.338 0.068 0 C-N-CA 123.02 0.528 . . . . 0.0 110.41 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.15 143.42 40.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.053 0.941 . . . . 0.0 110.361 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -147.8 119.88 8.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.131 0.572 . . . . 0.0 109.87 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -153.67 129.86 10.43 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -139.61 47.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 t -81.71 -11.1 59.19 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.611 -0.346 . . . . 0.0 110.768 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -85.5 139.26 31.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.309 0.644 . . . . 0.0 111.845 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -143.66 142.39 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.382 1.473 . . . . 0.0 108.722 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -152.26 154.92 36.68 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.552 0.215 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.4 t -127.22 131.9 50.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.205 0.602 . . . . 0.0 109.898 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 80.9 m-85 -84.29 63.58 7.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -141.96 163.63 32.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.824 0.85 . . . . 0.0 109.772 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.901 0.381 . . . . 0.0 111.155 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.02 152.95 40.18 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 120.912 0.387 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.0 t -162.82 162.5 26.55 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.06 0.544 . . . . 0.0 110.834 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -76.52 170.74 15.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.598 0.359 . . . . 0.0 111.081 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -138.12 165.17 27.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.983 0.913 . . . . 0.0 110.059 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 tp -100.58 123.0 44.2 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.6 t -102.54 142.02 34.41 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.48 138.3 55.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.974 0.509 . . . . 0.0 109.798 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.0 m-85 -126.94 144.81 50.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.9 t -136.81 143.38 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -131.86 142.73 49.78 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.38 140.74 58.55 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.626 0.25 . . . . 0.0 110.661 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.989 0 CA-C-O 119.774 -0.459 . . . . 0.0 113.39 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -66.84 152.26 45.94 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.721 1.261 . . . . 0.0 109.162 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.35 -16.22 14.47 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 123.851 0.739 . . . . 0.0 112.644 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.54 119.44 24.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.211 1.006 . . . . 0.0 112.231 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -136.75 159.12 42.8 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.542 0.337 . . . . 0.0 110.549 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -144.98 143.77 30.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.328 0.651 . . . . 0.0 109.68 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -130.33 113.6 14.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.74 155.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.276 0.63 . . . . 0.0 110.481 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.52 118.67 10.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.78 -18.53 64.21 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -153.84 124.4 7.12 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.396 0.544 . . . . 0.0 110.385 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.26 149.56 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.461 1.104 . . . . 0.0 108.373 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.81 139.51 38.23 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.58 156.03 5.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.079 0 C-N-CA 122.911 0.485 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -89.48 157.51 18.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.011 -0.431 . . . . 0.0 110.15 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.68 143.81 53.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.274 -0.267 . . . . 0.0 110.805 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.26 5.78 67.15 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.842 -0.977 . . . . 0.0 114.763 174.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -147.12 172.97 12.95 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.389 1.595 . . . . 0.0 111.748 177.083 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -91.69 167.61 12.07 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -155.38 156.81 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.807 1.243 . . . . 0.0 109.063 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -121.43 140.74 51.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.667 0.787 . . . . 0.0 109.961 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.29 90.18 25.85 Favored Pre-proline 0 N--CA 1.457 -0.114 0 C-N-CA 124.051 0.94 . . . . 0.0 110.843 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.01 144.1 46.49 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.259 2.64 . . . . 0.0 111.177 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.3 p -162.16 168.49 22.43 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.423 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.5 t -151.96 168.36 25.45 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.85 0.86 . . . . 0.0 110.689 -177.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -140.3 168.43 19.83 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -147.71 150.03 33.54 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.89 0.476 . . . . 0.0 109.935 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.9 155.98 33.98 Favored Pre-proline 0 CA--C 1.53 0.198 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -173.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.14 156.79 64.47 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.218 2.612 . . . . 0.0 109.819 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -78.7 -1.2 33.34 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 112.102 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.12 127.91 34.77 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.44 4.84 67.76 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.15 -0.806 . . . . 0.0 114.58 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.459 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 65.9 p-90 -151.75 167.29 28.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 118.961 1.38 . . . . 0.0 112.358 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.39 164.47 22.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -60.42 -27.67 67.66 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -176.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -89.59 -3.44 58.29 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.3 149.35 91.53 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.38 160.44 49.53 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.809 3.006 . . . . 0.0 109.916 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.91 148.93 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.627 0.371 . . . . 0.0 110.158 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -148.97 164.05 35.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.653 1.181 . . . . 0.0 110.161 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.02 155.23 26.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -150.03 173.0 14.34 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -174.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -138.73 146.53 41.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.66 1.184 . . . . 0.0 111.266 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.01 151.46 40.86 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -74.19 144.81 44.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.389 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.68 155.26 58.99 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.715 2.277 . . . . 0.0 110.451 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -80.52 -17.2 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 122.233 -0.292 . . . . 0.0 111.264 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.91 150.28 11.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.365 1.066 . . . . 0.0 109.019 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 t -160.2 155.79 25.53 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -94.01 -13.18 27.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.695 0.798 . . . . 0.0 110.924 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.209 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 CA--C 1.529 0.157 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.08 169.44 21.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.634 0.774 . . . . 0.0 111.48 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -58.41 145.34 38.82 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.836 0.454 . . . . 0.0 110.985 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.35 64.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -88.31 -9.49 52.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.286 0.494 . . . . 0.0 111.666 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.466 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -112.84 -7.97 13.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.1 131.55 51.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.923 0.392 . . . . 0.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.49 2.41 74.5 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.357 -0.69 . . . . 0.0 112.843 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -127.26 -33.9 2.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.381 1.091 . . . . 0.0 112.578 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.466 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.0 m-85 -88.24 140.22 29.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 175.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -156.77 146.43 20.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.7 mt -99.47 144.28 28.74 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 mt -116.16 171.2 7.96 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.658 0.783 . . . . 0.0 110.146 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.38 -156.55 51.27 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.252 6.7 p30 -137.2 144.41 42.84 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -24.66 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.632 0.773 . . . . 0.0 111.347 -177.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -81.29 6.66 13.51 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.218 0.607 . . . . 0.0 112.067 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.2 t -129.23 16.16 6.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.081 0.953 . . . . 0.0 109.546 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 59.49 20.5 8.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.716 1.206 . . . . 0.0 113.806 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -79.73 139.09 37.44 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.0 p -122.95 10.76 9.52 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.806 0.443 . . . . 0.0 111.843 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.8 m -44.56 133.99 5.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.768 0.827 . . . . 0.0 111.959 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.8 tp -119.87 148.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.99 0.916 . . . . 0.0 108.981 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.4 t -138.44 136.82 36.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 175.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.18 124.83 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -101.43 140.84 35.16 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.323 0.649 . . . . 0.0 109.42 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 46.1 55.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.68 150.5 12.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -141.95 168.42 19.78 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.806 0.842 . . . . 0.0 109.853 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.12 -16.45 32.29 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -73.52 -17.2 61.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.105 0.412 . . . . 0.0 111.928 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -83.92 -13.53 53.26 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.765 0.426 . . . . 0.0 111.739 -177.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.55 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -66.73 133.76 50.82 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.78 -149.93 22.01 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.6 m -139.17 152.85 47.74 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.134 0.574 . . . . 0.0 110.427 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -146.33 165.9 27.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -174.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -140.28 157.43 45.59 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.984 0.514 . . . . 0.0 111.729 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -87.93 154.6 20.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -132.09 133.5 44.4 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-O 120.694 0.283 . . . . 0.0 110.677 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.6 tp -105.46 143.55 33.47 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.303 1.041 . . . . 0.0 110.293 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -150.37 121.1 7.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 172.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -154.31 133.24 12.35 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 123.561 0.744 . . . . 0.0 109.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.8 -138.08 47.67 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -177.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.7 t -85.45 -1.8 57.44 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.735 0.414 . . . . 0.0 111.103 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.4 ttp -91.08 126.64 36.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.332 0.653 . . . . 0.0 112.173 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 143.58 50.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.419 1.088 . . . . 0.0 108.859 172.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.405 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.4 t-105 -157.3 153.11 26.9 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.871 0.305 . . . . 0.0 110.728 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.6 p -129.67 140.36 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.205 0.602 . . . . 0.0 109.692 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.291 79.5 m-85 -88.63 65.45 7.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -141.92 159.72 41.65 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 122.992 0.517 . . . . 0.0 111.85 -177.847 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -146.42 154.01 41.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.2 t -163.9 151.39 12.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.612 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.79 169.63 16.34 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.992 0.425 . . . . 0.0 111.006 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -135.37 169.99 16.64 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.703 0.801 . . . . 0.0 111.032 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.41 124.91 46.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.0 t -103.07 143.23 32.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.71 141.65 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.55 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.3 m-85 -129.77 145.89 51.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.1 t -136.16 143.22 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.642 0.377 . . . . 0.0 111.856 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.3 144.81 49.92 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.22 141.96 57.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.436 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 122.546 0.338 . . . . 0.0 110.402 -177.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.897 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.874 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -61.0 146.32 47.51 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.364 1.082 . . . . 0.0 112.134 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 -15.49 16.16 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.098 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -82.97 115.68 21.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.632 1.216 . . . . 0.0 112.378 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -136.89 151.02 48.61 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 148.22 29.96 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.997 0.519 . . . . 0.0 109.824 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -130.75 127.84 39.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.7 p -157.59 156.29 4.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.716 0.806 . . . . 0.0 110.571 -176.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.93 118.89 10.38 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 175.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.96 -17.26 62.67 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.3 tp -153.0 123.98 7.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 118.077 0.399 . . . . 0.0 110.119 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 t -119.78 148.42 22.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.504 1.121 . . . . 0.0 108.447 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.6 141.68 41.28 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.16 155.42 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.723 0.409 . . . . 0.0 111.261 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -87.48 157.99 19.06 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.88 -0.513 . . . . 0.0 109.813 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.57 142.08 50.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.173 -0.329 . . . . 0.0 111.578 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 6.62 67.66 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.823 -0.987 . . . . 0.0 114.364 175.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.07 172.29 13.28 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 175.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -92.18 167.07 12.3 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -170.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.43 156.53 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.406 1.082 . . . . 0.0 109.348 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -122.05 139.97 53.07 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.557 0.743 . . . . 0.0 109.725 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -132.41 89.76 35.68 Favored Pre-proline 0 C--O 1.232 0.178 0 C-N-CA 124.37 1.068 . . . . 0.0 110.917 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.76 140.48 42.8 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 123.081 2.521 . . . . 0.0 111.197 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.456 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.6 p -161.93 166.2 26.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.226 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -154.62 170.23 22.0 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 122.769 0.428 . . . . 0.0 110.958 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -138.9 169.66 17.39 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -147.02 149.93 34.1 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.687 0.795 . . . . 0.0 110.084 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.412 ' CD2' ' HE1' ' A' ' 115' ' ' MET . 12.0 p90 -152.07 157.4 34.13 Favored Pre-proline 0 N--CA 1.454 -0.239 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -173.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.33 159.32 53.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.292 2.661 . . . . 0.0 110.275 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.46 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.4 tt0 -80.14 -2.21 43.64 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -70.42 132.32 45.42 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.75 77.36 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.153 -0.804 . . . . 0.0 114.057 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.05 167.55 25.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.965 1.382 . . . . 0.0 112.302 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.88 167.2 19.35 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.11 -11.91 16.64 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.3 m -101.35 -6.02 24.63 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -77.36 146.14 73.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -71.25 160.06 50.03 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.869 3.046 . . . . 0.0 109.893 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.44 141.03 22.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -149.08 170.58 18.07 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.242 1.017 . . . . 0.0 110.461 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.56 160.07 28.03 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -149.43 171.61 16.29 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -174.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -135.77 149.89 49.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.288 1.035 . . . . 0.0 111.809 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -145.61 149.47 34.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -75.28 137.23 41.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 110.374 -176.721 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -72.99 152.55 51.71 Favored 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 123.071 2.514 . . . . 0.0 110.302 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -81.44 -16.4 12.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.33 153.2 17.46 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.63 0.772 . . . . 0.0 109.46 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.0 t -161.14 162.12 31.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.677 0.275 . . . . 0.0 111.681 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -108.91 0.29 20.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.654 0.782 . . . . 0.0 110.78 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.257 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.855 0.36 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -124.57 176.33 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.586 0.754 . . . . 0.0 111.901 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -58.49 143.5 45.51 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 122.665 0.386 . . . . 0.0 110.954 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -20.94 66.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -83.3 -6.36 59.44 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.212 -0.305 . . . . 0.0 111.464 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p -126.39 -2.36 6.86 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -59.88 131.51 51.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.26 58.93 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.366 -0.686 . . . . 0.0 113.325 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 79' ' ' ARG . 37.9 mtm105 -119.61 -36.21 3.38 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.692 1.246 . . . . 0.0 111.256 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -88.25 139.4 30.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 174.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -157.26 152.51 26.19 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.307 0.243 . . . . 0.0 110.574 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.8 mt -106.93 145.18 32.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.792 0.329 . . . . 0.0 110.475 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -118.01 168.65 10.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.104 0.961 . . . . 0.0 110.361 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.85 173.81 45.91 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.99 139.45 30.6 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -28.06 37.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.875 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -82.97 -11.76 57.87 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 122.703 0.401 . . . . 0.0 111.095 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -93.56 7.53 44.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.514 0.725 . . . . 0.0 110.131 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 58.03 28.46 16.31 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.813 0.845 . . . . 0.0 112.503 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -78.74 142.61 36.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.2 p -128.28 8.65 6.06 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 111.255 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -44.94 115.66 0.93 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.128 0.971 . . . . 0.0 111.796 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.8 tp -93.08 146.11 23.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.1 t -135.46 134.05 39.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 172.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -107.44 125.2 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -103.18 140.35 37.47 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 46.27 58.73 4.27 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 151.1 17.26 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -134.47 162.73 31.43 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 124.016 0.926 . . . . 0.0 109.668 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -58.43 -22.65 55.01 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -72.9 -20.89 60.99 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.528 0.731 . . . . 0.0 111.819 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.31 -11.94 60.16 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.9 tttt -64.96 131.7 47.32 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.187 0.595 . . . . 0.0 109.563 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.08 -151.92 23.38 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -140.62 154.84 46.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.06 0.544 . . . . 0.0 110.477 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -147.35 166.17 27.95 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -173.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -141.9 158.78 43.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.316 0.646 . . . . 0.0 110.011 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 24.0 t80 -96.66 154.33 17.35 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -130.9 133.61 46.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.698 0.399 . . . . 0.0 110.79 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.1 tp -102.9 144.78 30.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.185 0.994 . . . . 0.0 110.6 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -151.36 120.25 6.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.824 0.45 . . . . 0.0 109.871 173.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -153.61 130.65 11.04 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 123.91 0.884 . . . . 0.0 108.978 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.16 -138.29 45.71 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -176.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.2 m -84.84 -1.52 56.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.071 0.436 . . . . 0.0 111.801 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.412 ' HE1' ' CD2' ' A' ' 35' ' ' TYR . 44.3 ttp -91.84 135.27 34.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.573 0.749 . . . . 0.0 111.164 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -142.13 145.7 34.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.867 1.267 . . . . 0.0 109.451 177.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.7 t-105 -157.05 156.91 33.66 Favored 'General case' 0 C--O 1.23 0.042 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.0 t -128.57 132.96 48.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.452 0.701 . . . . 0.0 110.141 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.297 79.5 m-85 -86.39 67.63 9.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -173.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -144.71 163.67 33.3 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.301 0.64 . . . . 0.0 109.689 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--N 1.331 -0.238 0 C-N-CA 122.594 0.358 . . . . 0.0 111.367 -179.748 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.26 12.6 t80 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.19 143.17 29.09 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.6 0.238 . . . . 0.0 110.534 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -158.32 158.61 34.69 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.959 0.504 . . . . 0.0 110.32 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.68 169.19 18.74 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 121.055 0.455 . . . . 0.0 111.191 -178.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -137.31 165.51 26.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.935 0.894 . . . . 0.0 110.431 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.54 126.98 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.8 t -105.91 143.06 34.59 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.28 139.02 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.577 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.2 m-85 -127.78 146.92 50.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.29 143.46 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.316 0.646 . . . . 0.0 111.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.87 145.61 48.44 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.81 141.0 58.93 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 110.962 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . . . . . . 0 CA--C 1.528 0.904 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.834 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.3 146.72 38.53 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.97 -15.84 19.1 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 123.615 0.626 . . . . 0.0 112.906 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.6 119.08 24.79 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.2 1.0 . . . . 0.0 112.989 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -138.88 150.81 46.39 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.609 0.364 . . . . 0.0 110.758 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.22 146.92 28.88 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.836 0.454 . . . . 0.0 110.354 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -127.69 128.98 46.37 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.271 0.628 . . . . 0.0 109.548 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -160.29 156.79 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.516 0.726 . . . . 0.0 110.773 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.32 120.22 12.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -67.97 -20.91 65.08 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -174.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -153.85 123.67 6.78 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 118.043 0.383 . . . . 0.0 110.343 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 t -118.77 147.88 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 124.456 1.102 . . . . 0.0 108.282 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.66 140.68 40.97 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -154.59 154.31 7.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.738 0.415 . . . . 0.0 111.455 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -85.85 157.95 20.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.988 -0.445 . . . . 0.0 109.901 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.69 141.26 49.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.249 -0.282 . . . . 0.0 111.034 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.77 6.65 63.58 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.021 -0.877 . . . . 0.0 114.968 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.98 175.71 10.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.858 1.329 . . . . 0.0 111.707 176.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -91.53 168.43 11.52 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -169.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.6 154.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.653 1.181 . . . . 0.0 109.26 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -119.39 139.63 51.69 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.693 0.797 . . . . 0.0 110.018 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -134.17 90.54 25.45 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.173 0.989 . . . . 0.0 111.561 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -65.13 147.55 88.53 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.464 2.776 . . . . 0.0 111.478 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.8 t -157.39 150.73 23.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.563 0.745 . . . . 0.0 110.802 -175.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -151.95 162.81 40.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.385 0.674 . . . . 0.0 111.013 176.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -140.97 170.31 15.98 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -147.19 145.95 29.67 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.818 0.847 . . . . 0.0 109.865 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -153.44 155.57 31.74 Favored Pre-proline 0 C--O 1.232 0.177 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.37 157.79 60.1 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.38 2.72 . . . . 0.0 110.479 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.3 tt0 -79.16 -1.25 35.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.995 0.518 . . . . 0.0 112.13 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.07 130.13 42.19 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.49 4.63 80.03 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.164 -0.798 . . . . 0.0 114.508 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.0 p-90 -150.86 164.77 35.47 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.045 1.422 . . . . 0.0 112.835 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 168.29 17.02 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.63 -12.08 30.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -97.42 -11.87 23.39 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.01 0.524 . . . . 0.0 111.519 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.19 147.91 93.63 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.55 163.12 39.48 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.802 3.001 . . . . 0.0 110.385 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.53 142.63 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -147.75 161.34 41.43 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.932 0.893 . . . . 0.0 110.261 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.43 156.86 27.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -151.72 170.98 18.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -175.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -135.38 145.85 47.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.606 1.162 . . . . 0.0 111.197 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -141.29 150.87 43.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -76.09 136.91 39.87 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.975 -175.06 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.417 0.151 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.83 156.62 62.71 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.685 2.923 . . . . 0.0 110.169 173.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -85.64 -15.78 10.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.46 144.93 9.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.495 0.718 . . . . 0.0 110.316 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -168.91 165.13 11.65 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.469 0.708 . . . . 0.0 110.789 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.26 -5.14 11.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.409 0.684 . . . . 0.0 112.054 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.11 171.87 2.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -58.63 146.85 34.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.487 0.715 . . . . 0.0 111.709 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.8 64.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -85.93 -11.21 53.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.107 0.412 . . . . 0.0 111.141 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -113.66 -1.7 13.96 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -60.47 131.5 50.95 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.53 1.62 52.97 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 118.739 -1.034 . . . . 0.0 113.504 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -120.65 -35.83 3.3 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.932 1.366 . . . . 0.0 112.315 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -83.82 140.25 32.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -156.74 146.49 20.82 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.5 mt -99.35 141.76 31.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.9 mt -113.45 -9.57 13.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.666 0.386 . . . . 0.0 111.387 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.06 143.07 22.82 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.08 127.03 31.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -24.85 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.556 0.343 . . . . 0.0 111.248 -177.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -89.93 6.06 43.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.157 0.583 . . . . 0.0 111.729 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -123.77 14.77 9.37 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.737 0.815 . . . . 0.0 110.687 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 57.53 24.23 10.11 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.121 0.969 . . . . 0.0 112.995 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -89.8 152.5 21.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.421 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 1.8 p -135.0 16.7 3.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.725 0.81 . . . . 0.0 111.921 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -52.16 134.76 32.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.756 0.422 . . . . 0.0 111.335 -175.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -119.36 151.56 38.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.319 1.048 . . . . 0.0 109.082 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.6 t -141.85 141.67 33.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.93 124.71 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -102.27 142.15 33.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 46.33 57.38 5.4 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.55 149.8 13.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -139.3 166.63 24.04 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.759 0.824 . . . . 0.0 109.874 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.61 -13.26 20.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -75.75 -16.48 60.12 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.907 0.483 . . . . 0.0 111.748 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -84.47 -14.76 48.28 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.6 0.36 . . . . 0.0 111.486 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.57 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -67.28 133.33 49.48 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.59 -149.44 21.38 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.9 m -141.26 153.59 45.31 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 123.061 0.545 . . . . 0.0 110.295 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -147.54 164.91 31.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -141.61 156.75 45.66 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.178 0.591 . . . . 0.0 109.647 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -92.05 154.57 18.67 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -130.72 130.26 43.58 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.534 0.333 . . . . 0.0 110.161 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.7 tp -100.64 144.8 29.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.772 0.829 . . . . 0.0 110.472 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -148.1 118.77 7.5 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.73 0.412 . . . . 0.0 110.066 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -153.84 131.95 11.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.351 0.66 . . . . 0.0 109.348 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.15 -140.78 47.7 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.5 p -83.82 -6.13 59.36 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.243 -0.563 . . . . 0.0 110.85 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -89.53 139.72 30.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.243 0.617 . . . . 0.0 112.14 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -143.56 142.13 30.97 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.251 1.42 . . . . 0.0 108.786 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.7 t-105 -152.57 149.54 28.59 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.0 m -120.17 133.22 55.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.113 0.565 . . . . 0.0 110.652 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.325 75.8 m-85 -83.53 62.74 6.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -174.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -141.53 156.73 45.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 CA--C 1.528 0.118 0 C-N-CA 122.798 0.439 . . . . 0.0 111.481 -177.032 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.287 39.0 t80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -145.67 134.03 21.85 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 123.145 0.578 . . . . 0.0 111.077 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.3 t -157.28 144.04 18.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.0 0.92 . . . . 0.0 109.199 172.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -70.42 167.16 18.84 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 121.384 0.611 . . . . 0.0 111.346 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.8 171.06 13.98 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.931 0.892 . . . . 0.0 111.062 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.5 129.31 46.44 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.554 0.742 . . . . 0.0 109.011 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 t -108.63 143.15 38.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 172.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 51.5 t -128.74 141.57 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.04 0.536 . . . . 0.0 109.723 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.57 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.5 m-85 -130.48 146.16 51.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.46 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.842 0.457 . . . . 0.0 111.324 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.4 142.36 48.32 Favored 'General case' 0 N--CA 1.458 -0.066 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.62 58.67 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.749 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 ttp . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.883 0.373 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -64.46 151.3 44.65 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.747 0.419 . . . . 0.0 110.769 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.0 1.85 35.5 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 119.832 -0.427 . . . . 0.0 112.404 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.4 t0 56.17 33.78 22.7 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.789 0.804 . . . . 0.0 112.408 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -155.1 167.65 29.64 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.449 0.7 . . . . 0.0 110.329 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -128.53 166.54 18.61 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.297 0.639 . . . . 0.0 109.4 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -56.75 126.06 25.17 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -171.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.46 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 92.2 0.77 70.34 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.416 -0.658 . . . . 0.0 113.358 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.88 149.5 31.34 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.36 -15.68 8.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.593 0.616 . . . . 0.0 112.853 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -82.68 114.79 21.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.254 1.027 . . . . 0.0 113.625 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 mt -136.15 151.12 49.43 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.71 0.404 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -148.29 148.23 30.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -130.36 126.37 36.95 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.9 p -156.87 156.98 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.636 . . . . 0.0 110.481 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.2 116.8 7.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -69.89 -16.43 63.23 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -173.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -152.9 123.65 7.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.32 0.509 . . . . 0.0 110.038 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.39 148.59 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.483 1.113 . . . . 0.0 108.238 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.43 140.48 41.31 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.16 155.17 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.056 0 C-N-CA 122.775 0.43 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -87.45 157.22 19.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.122 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.68 140.29 51.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.389 0.276 . . . . 0.0 111.103 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.39 3.84 64.66 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-O 119.013 -0.882 . . . . 0.0 114.469 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.52 174.6 10.8 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.202 1.501 . . . . 0.0 111.489 177.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -91.89 168.28 11.54 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -156.7 156.1 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 124.624 1.17 . . . . 0.0 108.961 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -120.53 141.98 49.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.326 0.65 . . . . 0.0 110.275 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -134.58 88.86 27.83 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 123.69 0.796 . . . . 0.0 111.044 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.23 143.23 43.37 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.857 2.372 . . . . 0.0 111.383 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.4 p -161.44 166.71 26.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.759 0.314 . . . . 0.0 111.658 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -153.84 166.43 32.94 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.284 0.634 . . . . 0.0 111.061 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -141.48 169.35 17.77 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.3 m -142.54 148.54 37.75 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.038 0.935 . . . . 0.0 109.872 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -152.19 155.98 33.56 Favored Pre-proline 0 N--CA 1.457 -0.112 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.78 157.45 61.17 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.025 2.484 . . . . 0.0 110.193 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.66 -1.32 41.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.198 0.599 . . . . 0.0 111.95 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.4 139.69 55.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 4.44 89.86 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.017 -0.879 . . . . 0.0 114.455 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.85 167.26 27.08 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.293 1.546 . . . . 0.0 112.228 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.56 166.51 21.24 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -62.65 -9.15 8.06 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.1 p -110.21 -3.07 16.5 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.763 0.425 . . . . 0.0 111.949 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.96 147.09 88.25 Favored Pre-proline 0 N--CA 1.453 -0.283 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.39 160.89 47.35 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.702 2.935 . . . . 0.0 110.203 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.24 146.09 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.72 0.408 . . . . 0.0 110.408 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -148.8 166.74 27.56 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.879 1.271 . . . . 0.0 110.088 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.97 159.49 27.41 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -151.77 169.36 22.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -134.63 146.35 49.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.741 1.216 . . . . 0.0 111.041 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 57' ' ' PRO . 94.1 m-85 -143.27 154.65 44.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.68 0.392 . . . . 0.0 110.537 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -73.87 153.42 39.88 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.72 133.31 55.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.297 -0.877 . . . . 0.0 109.492 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.02 -0.27 88.76 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 123.15 0.405 . . . . 0.0 112.754 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -77.07 172.98 12.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -130.2 97.9 21.97 Favored Pre-proline 0 CA--C 1.531 0.248 0 C-N-CA 123.286 0.634 . . . . 0.0 109.797 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HA ' ' CE1' ' A' ' 51' ' ' PHE . 74.7 Cg_exo -56.47 -18.0 23.75 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 124.771 3.647 . . . . 0.0 115.853 -171.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.308 13.7 p90 -106.09 5.02 29.8 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -134.25 -1.41 2.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.636 0.374 . . . . 0.0 111.258 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -141.83 159.91 41.27 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.12 147.81 80.44 Favored Pre-proline 0 N--CA 1.454 -0.253 0 O-C-N 122.291 -0.255 . . . . 0.0 110.467 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -71.72 158.34 53.52 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.724 2.949 . . . . 0.0 110.367 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.9 -16.83 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.38 150.91 14.78 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.991 0.916 . . . . 0.0 109.355 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.0 t -161.44 165.27 29.02 Favored 'General case' 0 C--O 1.228 -0.064 0 C-N-CA 122.679 0.392 . . . . 0.0 111.98 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -116.86 -2.33 11.84 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.39 0.676 . . . . 0.0 110.725 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -78.1 122.09 84.87 Favored Pre-proline 0 N--CA 1.451 -0.397 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.05 -17.01 36.53 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.983 2.455 . . . . 0.0 111.906 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -90.22 -11.6 40.5 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -105.47 135.95 45.92 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 122.888 0.475 . . . . 0.0 110.151 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -88.27 -178.75 5.99 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.077 0.551 . . . . 0.0 110.179 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.32 167.45 24.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.411 0.684 . . . . 0.0 111.985 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -58.94 146.44 37.83 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.071 0.548 . . . . 0.0 111.138 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.32 -20.89 64.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.226 -0.297 . . . . 0.0 111.614 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -86.28 -10.47 54.48 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.957 0.344 . . . . 0.0 111.038 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.4 p -117.19 -5.35 11.36 Favored 'General case' 0 C--N 1.342 0.255 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.35 129.97 44.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.555 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.91 3.66 69.01 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.018 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -125.13 -33.67 2.85 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.454 1.127 . . . . 0.0 112.44 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -91.63 141.22 28.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 174.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -157.25 149.6 22.92 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.11 0.164 . . . . 0.0 110.635 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.5 mt -101.78 144.63 30.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.6 mt -118.76 177.49 4.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.635 0.774 . . . . 0.0 110.206 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.08 -155.04 41.86 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -133.6 128.03 34.3 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -64.56 -30.17 49.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.987 0.515 . . . . 0.0 111.402 -177.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.12 -3.44 45.48 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 122.609 0.364 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -110.94 13.02 22.16 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.21 1.004 . . . . 0.0 109.709 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 60.73 23.72 13.6 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.837 1.255 . . . . 0.0 113.389 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -76.22 145.11 40.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.841 0.292 . . . . 0.0 111.635 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.8 p -126.88 10.79 7.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 123.217 0.607 . . . . 0.0 111.473 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -46.99 132.95 11.63 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.763 0.825 . . . . 0.0 111.823 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.3 tp -118.49 148.16 42.89 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.915 0.886 . . . . 0.0 108.848 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 136.76 36.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.749 0.309 . . . . 0.0 110.463 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.78 132.15 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -114.04 141.72 47.08 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.1 t0 49.03 58.95 4.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.43 148.5 27.9 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.894 0.378 . . . . 0.0 111.731 -174.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -136.95 165.47 25.91 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.424 0.69 . . . . 0.0 109.649 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -61.45 -18.27 58.19 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -77.24 -14.61 59.73 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -78.98 -15.36 58.38 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.7 tttt -65.92 131.08 45.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.18 -150.58 22.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 m -139.81 153.06 47.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.075 0.55 . . . . 0.0 110.611 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -147.09 165.41 30.02 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.11 156.8 45.92 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -92.14 154.59 18.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -133.46 133.91 42.88 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.616 0.367 . . . . 0.0 110.895 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.8 tp -106.43 146.38 30.59 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.408 1.083 . . . . 0.0 110.19 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -150.46 120.8 7.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -152.5 130.64 11.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.926 0.891 . . . . 0.0 109.292 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.43 47.48 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -82.19 -7.77 59.63 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.914 0.357 . . . . 0.0 111.536 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -91.58 142.84 27.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.295 0.638 . . . . 0.0 111.985 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -153.74 147.52 25.33 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.531 0.733 . . . . 0.0 109.572 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.46 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 66.0 t-105 -150.75 143.73 24.68 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.499 0.19 . . . . 0.0 111.49 -174.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -107.1 129.91 54.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.063 0.545 . . . . 0.0 110.217 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.278 78.9 m-85 -82.78 61.68 5.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -141.63 165.14 28.32 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.982 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.8 p -62.61 150.47 40.61 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.069 0.548 . . . . 0.0 112.006 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -146.33 -167.12 2.65 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.095 0.958 . . . . 0.0 110.678 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.838 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.4 mm? -61.13 -34.71 75.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.885 0.874 . . . . 0.0 112.445 -173.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -136.06 4.82 3.01 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 123.245 0.618 . . . . 0.0 110.969 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.274 16.4 t80 -123.88 148.49 46.77 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.12 143.74 29.54 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-O 120.659 0.266 . . . . 0.0 111.219 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.6 t -158.76 162.23 37.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.664 0.786 . . . . 0.0 110.491 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.07 171.22 15.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.043 0.537 . . . . 0.0 110.824 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -139.77 165.8 26.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.904 0.882 . . . . 0.0 110.48 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.6 tp -100.49 128.66 46.49 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 t -107.6 143.13 36.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.55 141.25 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.935 0.494 . . . . 0.0 109.729 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.4 m-85 -129.28 147.35 51.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.04 143.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.938 0.495 . . . . 0.0 111.317 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.04 142.31 46.34 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.71 58.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 111.015 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.39 112.7 7.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -155.38 -1.38 0.15 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 116.647 2.092 . . . . 0.0 116.647 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -151.01 0.94 0.41 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 163.0 -168.7 37.91 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.8 p -154.3 152.72 30.6 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.991 0.517 . . . . 0.0 110.277 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 tt -84.25 -54.09 5.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.16 0.184 . . . . 0.0 111.08 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 44.74 85.47 0.17 Allowed Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.37 162.84 40.94 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.416 2.744 . . . . 0.0 110.905 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 13.0 ptm85 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 117.529 -1.224 . . . . 0.0 110.536 -179.486 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 110.775 -0.083 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -74.07 151.44 40.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.58 0.228 . . . . 0.0 110.734 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.82 -7.03 22.89 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.76 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -83.97 -0.83 53.12 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.61 0.705 . . . . 0.0 112.538 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.5 ptp85 -86.24 -177.58 6.28 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.591 0.756 . . . . 0.0 110.415 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -144.56 166.37 25.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 42.8 t80 -52.85 136.62 33.79 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 -174.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 83.41 3.51 89.89 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-O 119.705 -0.497 . . . . 0.0 112.868 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -56.52 141.39 42.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.371 1.085 . . . . 0.0 113.664 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.78 -15.7 40.88 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.085 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -84.27 117.06 23.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.167 0.984 . . . . 0.0 112.93 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -137.64 151.6 48.46 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.005 0.366 . . . . 0.0 110.903 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.37 147.65 29.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -129.57 126.88 39.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.952 0.501 . . . . 0.0 109.714 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -156.8 156.79 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -66.05 117.34 8.25 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -67.41 -18.7 65.21 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.47 124.55 7.41 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.271 0.487 . . . . 0.0 110.248 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -120.79 149.81 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 124.531 1.133 . . . . 0.0 108.254 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.74 140.83 40.9 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -153.08 156.05 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.991 0.516 . . . . 0.0 111.299 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -89.5 156.76 18.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.953 -0.467 . . . . 0.0 110.246 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -69.12 142.09 54.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.376 -0.202 . . . . 0.0 110.727 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.92 3.77 65.61 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.842 -0.976 . . . . 0.0 114.937 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -147.35 173.94 12.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.292 1.546 . . . . 0.0 111.716 178.483 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -91.94 168.14 11.62 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.56 155.88 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.756 1.222 . . . . 0.0 108.894 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -119.46 141.71 48.9 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 110.317 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.51 87.65 26.33 Favored Pre-proline 0 CA--C 1.53 0.19 0 C-N-CA 124.079 0.951 . . . . 0.0 111.007 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.46 143.19 46.76 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.113 2.542 . . . . 0.0 111.255 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.5 p -161.79 167.0 25.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 111.522 178.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -153.84 169.21 23.94 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 122.923 0.489 . . . . 0.0 111.245 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -139.4 172.52 12.69 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -147.77 148.64 31.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.832 0.853 . . . . 0.0 110.256 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -154.36 156.24 31.54 Favored Pre-proline 0 CA--C 1.529 0.137 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -67.28 158.2 58.11 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.318 2.679 . . . . 0.0 110.195 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -80.13 -1.92 42.31 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.83 132.23 46.44 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.27 75.6 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.231 -0.761 . . . . 0.0 114.343 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.3 p-90 -150.5 167.03 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.783 1.292 . . . . 0.0 112.512 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 167.37 18.97 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.57 -11.42 16.5 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -103.76 -6.08 21.84 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.091 0.557 . . . . 0.0 112.327 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -75.41 145.78 80.05 Favored Pre-proline 0 N--CA 1.453 -0.3 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -71.35 159.88 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.84 3.026 . . . . 0.0 110.047 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.36 144.48 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 122.686 0.394 . . . . 0.0 110.249 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -148.98 165.39 31.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.733 1.213 . . . . 0.0 109.906 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.85 160.48 26.64 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -150.04 167.86 25.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -135.01 146.51 49.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.755 1.222 . . . . 0.0 111.415 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -144.5 152.22 40.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.694 0.398 . . . . 0.0 111.033 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -73.49 146.11 45.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.38 135.92 53.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.3 -10.46 74.22 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.632 0.634 . . . . 0.0 112.688 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -71.29 166.33 21.8 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -128.35 106.62 19.4 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 123.842 0.857 . . . . 0.0 109.098 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.18 -20.74 32.5 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 124.017 3.145 . . . . 0.0 114.429 -175.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.252 12.6 p90 -79.17 -7.42 58.2 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -134.6 -31.18 1.07 Allowed 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 122.45 0.3 . . . . 0.0 111.19 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -85.32 154.73 21.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.24 143.72 42.67 Favored Pre-proline 0 N--CA 1.451 -0.395 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.45 155.89 59.14 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.933 2.422 . . . . 0.0 110.252 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 m -82.46 -17.49 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 O-C-N 122.274 -0.266 . . . . 0.0 111.02 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.51 152.91 12.57 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.331 1.052 . . . . 0.0 109.137 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 t -160.74 155.82 24.4 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.352 0.524 . . . . 0.0 111.822 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -89.14 -16.43 31.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.021 0.529 . . . . 0.0 110.618 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -78.1 119.77 78.62 Favored Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.56 -19.04 28.71 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.272 2.648 . . . . 0.0 112.072 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -85.73 -14.91 43.88 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -100.99 130.37 46.97 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 123.207 0.603 . . . . 0.0 109.679 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -82.95 -179.69 7.52 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.33 172.24 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.048 0.539 . . . . 0.0 111.943 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -58.68 144.98 41.64 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.574 0.35 . . . . 0.0 111.048 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.96 -23.62 65.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.414 0.286 . . . . 0.0 111.728 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.87 -14.61 53.93 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.12 0.418 . . . . 0.0 111.18 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -110.41 -0.3 17.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -60.78 125.06 22.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 1.73 60.38 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.281 -0.733 . . . . 0.0 113.671 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -118.18 -28.58 5.79 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.55 1.175 . . . . 0.0 112.218 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.447 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -96.18 141.26 29.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.36 148.5 23.24 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.41 143.55 32.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.6 mt -116.47 177.42 4.7 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.743 0.817 . . . . 0.0 110.008 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.69 -149.23 36.29 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -142.62 128.88 19.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -23.65 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 O-C-N 122.166 -0.334 . . . . 0.0 111.713 -176.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -79.09 -8.89 59.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.659 0.384 . . . . 0.0 110.687 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -105.01 12.39 32.33 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.101 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 60.1 23.9 13.15 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.449 1.099 . . . . 0.0 113.424 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -83.75 146.56 28.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.1 p -128.43 10.48 6.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.473 0.709 . . . . 0.0 111.79 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.6 m -45.28 130.7 8.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.08 0.952 . . . . 0.0 111.918 -171.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.9 tp -114.56 148.4 38.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.978 0.911 . . . . 0.0 109.128 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -139.02 136.07 34.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.74 133.58 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -115.89 140.6 49.07 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.9 t0 48.74 60.05 3.97 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.86 148.67 33.93 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.56 0.344 . . . . 0.0 111.679 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -139.7 164.0 31.09 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.79 0.836 . . . . 0.0 109.227 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -60.25 -15.26 23.15 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.47 -14.3 59.43 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 122.653 0.381 . . . . 0.0 111.897 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -80.55 -15.63 56.19 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.617 ' HE2' ' CD2' ' A' ' 133' ' ' PHE . 64.2 tttm -65.23 130.46 43.43 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.39 -151.48 23.05 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -139.25 152.26 47.15 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.701 0.8 . . . . 0.0 110.408 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -146.62 164.39 32.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -141.18 158.63 43.65 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -96.05 154.69 17.11 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -132.07 133.49 44.41 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 122.681 0.392 . . . . 0.0 110.928 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 tp -104.55 144.99 30.93 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.938 0.895 . . . . 0.0 110.568 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.52 120.37 7.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 122.914 0.486 . . . . 0.0 109.837 173.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -153.97 131.05 11.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.06 -138.86 47.03 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -82.71 -4.88 58.49 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.469 0.308 . . . . 0.0 111.38 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.6 ttp -88.89 138.85 31.03 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.537 0.735 . . . . 0.0 111.969 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.31 144.8 31.64 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 173.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.419 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.3 t-105 -156.42 146.36 21.14 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 117.691 0.223 . . . . 0.0 110.692 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.8 m -115.28 129.05 56.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.701 0.4 . . . . 0.0 109.97 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.287 81.1 m-85 -80.08 59.57 3.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -136.53 157.93 45.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.682 0.793 . . . . 0.0 109.583 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 97.6 p -63.24 153.06 35.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.773 0.321 . . . . 0.0 111.239 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -145.34 -166.65 2.48 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.038 0.935 . . . . 0.0 109.985 -177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.814 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.7 mm? -55.93 -28.64 57.82 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.566 0.746 . . . . 0.0 112.267 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -141.3 -30.44 0.61 Allowed 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 122.959 0.503 . . . . 0.0 110.745 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -74.65 145.86 42.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.2 142.73 28.7 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 122.42 0.288 . . . . 0.0 110.566 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -157.68 161.7 38.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.243 0.617 . . . . 0.0 110.555 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -75.72 170.66 15.76 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.17 0.509 . . . . 0.0 110.552 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -139.18 165.74 26.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.129 0.972 . . . . 0.0 110.539 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.2 tp -100.69 120.58 40.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.7 t -98.93 142.83 29.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.6 t -128.02 140.4 49.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 122.919 0.488 . . . . 0.0 109.737 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.617 ' CD2' ' HE2' ' A' ' 103' ' ' LYS . 30.2 m-85 -128.38 149.76 50.39 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 115.686 1.735 . . . . 0.0 115.686 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.2 143.12 37.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 122.896 0.479 . . . . 0.0 111.66 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.7 m -133.06 141.69 48.36 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.24 141.52 58.61 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.94 118.26 10.91 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -149.74 2.54 0.53 Allowed 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -150.46 30.26 0.68 Allowed 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 122.711 0.405 . . . . 0.0 111.313 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 90.34 160.27 36.36 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 79.7 p -73.86 151.48 40.48 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.506 0.722 . . . . 0.0 111.783 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 tt -83.07 -49.1 9.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.004 0.522 . . . . 0.0 110.482 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 144' ' ' PRO . 2.6 t 59.56 134.22 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.353 0 C-N-CA 125.816 1.646 . . . . 0.0 115.364 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 143' ' ' VAL . 59.0 Cg_exo -55.15 153.22 27.44 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 123.348 2.698 . . . . 0.0 112.352 175.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.175 -176.182 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -70.96 155.96 40.19 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 120.736 0.303 . . . . 0.0 111.106 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.29 3.31 73.0 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 123.492 0.568 . . . . 0.0 112.121 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -155.86 116.92 3.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.823 0.849 . . . . 0.0 111.094 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -155.67 165.58 36.12 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.486 0.715 . . . . 0.0 110.172 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -96.43 166.06 11.88 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.252 39.4 t80 -59.0 128.74 38.76 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -173.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.26 3.23 89.73 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 119.359 -0.69 . . . . 0.0 113.455 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -67.15 152.32 45.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.901 1.35 . . . . 0.0 107.984 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.23 -15.74 37.67 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 123.832 0.73 . . . . 0.0 112.797 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -84.72 118.56 24.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.143 0.972 . . . . 0.0 112.66 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 mt -136.02 150.41 49.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 122.382 0.273 . . . . 0.0 110.534 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -148.42 147.71 29.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.443 0.297 . . . . 0.0 110.285 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -131.4 128.74 40.2 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.452 0.701 . . . . 0.0 109.316 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -160.0 156.72 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.591 0.756 . . . . 0.0 110.701 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.94 119.05 9.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.06 -18.31 62.57 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -152.02 123.78 7.95 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 118.177 0.444 . . . . 0.0 109.992 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -119.43 148.67 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.313 1.045 . . . . 0.0 108.218 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.24 141.13 42.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.98 153.39 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.593 0.357 . . . . 0.0 111.96 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -84.44 156.94 21.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -72.85 142.51 47.97 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.451 0.3 . . . . 0.0 110.905 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.0 6.36 65.23 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.09 -0.839 . . . . 0.0 114.737 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.74 171.1 14.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.006 1.403 . . . . 0.0 111.55 176.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -92.57 166.09 12.68 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.824 0.85 . . . . 0.0 113.197 -170.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.7 155.26 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.376 1.07 . . . . 0.0 109.747 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -117.08 140.22 49.76 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.978 0.911 . . . . 0.0 110.102 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.94 90.62 31.22 Favored Pre-proline 0 N--CA 1.456 -0.161 0 C-N-CA 124.525 1.13 . . . . 0.0 111.166 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.75 147.16 85.39 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.306 2.671 . . . . 0.0 111.492 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.6 t -156.97 148.35 22.21 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.564 0.746 . . . . 0.0 110.468 -176.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.3 p -151.44 162.0 41.72 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.225 0.61 . . . . 0.0 110.115 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -148.68 174.43 12.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -146.63 150.78 36.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.731 0.813 . . . . 0.0 109.94 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.39 154.52 32.09 Favored Pre-proline 0 CA--C 1.53 0.19 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.78 155.62 69.72 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.059 2.506 . . . . 0.0 110.166 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.463 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.8 tt0 -78.09 1.82 19.89 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.159 0.583 . . . . 0.0 112.415 -176.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.77 128.29 35.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.96 7.47 80.73 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.904 -0.942 . . . . 0.0 114.341 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.8 p-90 -151.29 168.49 24.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.182 1.491 . . . . 0.0 112.96 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 167.62 18.21 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -63.23 -4.46 2.51 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -120.87 -1.63 9.89 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 122.962 0.505 . . . . 0.0 112.074 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 92.0 m-20 -72.09 143.79 86.66 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 48.6 Cg_exo -58.79 156.01 34.97 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.471 2.781 . . . . 0.0 111.63 175.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.99 145.04 20.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 122.714 0.406 . . . . 0.0 110.368 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -149.39 165.22 32.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.803 0.841 . . . . 0.0 110.763 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.04 157.73 26.53 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -151.26 171.27 17.7 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -138.59 146.44 41.8 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.568 1.147 . . . . 0.0 111.407 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -143.23 152.31 41.57 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.782 0.433 . . . . 0.0 111.036 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -70.54 145.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.72 133.37 55.3 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.99 -7.28 78.98 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-O 119.612 -0.549 . . . . 0.0 113.02 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -72.31 166.78 21.79 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -117.39 109.07 42.56 Favored Pre-proline 0 C--O 1.231 0.127 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.86 -15.42 16.76 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.364 2.709 . . . . 0.0 112.991 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -97.29 -5.11 37.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -130.76 -12.77 3.76 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.334 0.254 . . . . 0.0 111.572 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -122.58 156.04 35.05 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.361 0.664 . . . . 0.0 110.1 -174.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.38 147.93 57.8 Favored Pre-proline 0 N--CA 1.452 -0.367 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.36 154.59 65.22 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.115 2.544 . . . . 0.0 110.403 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.47 -16.51 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 O-C-N 122.23 -0.294 . . . . 0.0 111.662 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.13 148.62 11.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.978 0.911 . . . . 0.0 109.812 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -162.11 158.39 24.7 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 122.395 0.278 . . . . 0.0 111.097 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -106.53 -1.15 23.32 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -70.15 135.06 87.12 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.9 -18.25 19.14 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.709 2.939 . . . . 0.0 113.222 -174.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -110.52 -23.67 10.99 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -79.22 131.4 36.17 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -82.17 -178.56 7.07 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 123.131 0.572 . . . . 0.0 110.668 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.29 167.83 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 123.642 0.777 . . . . 0.0 111.642 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.19 146.76 37.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.798 0.439 . . . . 0.0 111.155 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -20.89 64.07 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -86.39 -7.22 58.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.836 0.289 . . . . 0.0 111.669 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.458 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -120.78 -5.96 9.64 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.04 132.25 53.46 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.709 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.37 1.68 71.02 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.191 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -126.37 -35.08 2.42 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.699 1.25 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.458 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -84.65 140.37 31.38 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -156.84 146.57 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.263 0.225 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.0 mt -97.36 145.28 26.29 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.82 173.78 6.45 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.28 0.632 . . . . 0.0 110.199 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.83 -154.57 37.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -132.64 131.25 41.17 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 pt -65.92 -28.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 123.149 0.579 . . . . 0.0 111.39 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -80.18 -9.13 59.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.109 0.163 . . . . 0.0 111.238 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t -102.31 10.76 38.94 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.27 1.028 . . . . 0.0 110.263 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 59.31 30.74 20.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.183 0.993 . . . . 0.0 112.473 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -82.04 145.07 30.41 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.436 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.0 p -131.43 15.64 4.98 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.351 0.66 . . . . 0.0 110.844 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.7 m -54.12 141.29 29.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.343 0.657 . . . . 0.0 111.165 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.4 tp -126.34 148.57 49.54 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.012 0.925 . . . . 0.0 108.936 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -138.99 138.95 37.72 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.42 124.75 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -101.33 139.12 37.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 45.5 59.74 3.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.05 14.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -134.63 166.05 23.81 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.936 0.894 . . . . 0.0 109.616 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -60.82 -17.97 52.88 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -74.67 -15.26 60.81 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.223 0.609 . . . . 0.0 111.963 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -82.81 -12.93 57.09 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.47 131.47 45.74 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.4 -155.29 26.05 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -136.6 151.91 49.87 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.949 0.499 . . . . 0.0 110.318 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -148.21 165.31 31.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -140.39 156.56 46.36 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.292 0.637 . . . . 0.0 111.05 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -88.29 154.62 20.27 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -138.89 148.06 43.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.084 -0.385 . . . . 0.0 110.728 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.74 143.37 50.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.805 0.842 . . . . 0.0 111.916 -170.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -140.8 129.99 23.55 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.693 0.797 . . . . 0.0 109.511 169.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -154.34 129.6 9.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -139.44 47.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 t -79.11 -12.42 60.0 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.722 -0.281 . . . . 0.0 110.915 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -86.66 143.08 27.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.336 0.654 . . . . 0.0 112.457 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 144.63 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.298 1.039 . . . . 0.0 108.618 173.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -153.77 159.66 42.0 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.098 0.159 . . . . 0.0 110.573 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.6 t -133.53 134.81 43.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.248 0.619 . . . . 0.0 110.031 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.29 79.8 m-85 -85.31 61.59 6.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -136.62 163.7 29.94 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.497 0.719 . . . . 0.0 110.123 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p -62.97 150.39 42.38 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.574 0.35 . . . . 0.0 110.979 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -146.79 -167.31 2.73 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.193 0.997 . . . . 0.0 110.15 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.823 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.5 mm? -62.8 -32.35 73.51 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.729 0.812 . . . . 0.0 112.217 -172.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -136.86 3.68 2.72 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.097 0.559 . . . . 0.0 110.718 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 19.0 t80 -123.41 147.99 46.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -174.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -146.22 144.38 29.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.766 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.8 t -158.62 160.68 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.959 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.15 171.1 15.08 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.949 0.499 . . . . 0.0 111.054 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -138.71 163.7 31.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.67 0.788 . . . . 0.0 110.31 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.52 133.73 44.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.68 143.21 44.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.0 t -127.52 140.31 49.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 C-N-CA 122.91 0.484 . . . . 0.0 109.789 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.7 m-85 -129.25 146.08 51.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.68 143.19 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 122.775 0.43 . . . . 0.0 111.483 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -133.01 141.08 48.09 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.48 140.82 58.91 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.479 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.63 122.19 19.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -145.3 -19.13 0.48 Allowed 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -161.97 139.44 8.61 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.612 0.765 . . . . 0.0 109.587 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 61.45 -173.01 7.22 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.164 0.411 . . . . 0.0 112.941 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 88.2 p -160.59 153.16 20.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.094 0.958 . . . . 0.0 109.51 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 tt -81.54 -51.99 7.68 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 119.445 -0.312 . . . . 0.0 111.406 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.7 t 60.05 132.8 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.508 1.523 . . . . 0.0 114.919 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -66.53 153.22 78.81 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.922 2.414 . . . . 0.0 110.293 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.215 -1.374 . . . . 0.0 110.177 -174.335 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 ttp . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 110.841 -0.059 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -68.32 154.03 42.58 Favored 'General case' 0 N--CA 1.457 -0.086 0 CA-C-O 120.936 0.398 . . . . 0.0 111.106 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.02 -4.57 78.15 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -72.3 -4.82 31.99 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -155.75 171.11 20.57 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.308 0.643 . . . . 0.0 110.138 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -133.52 166.46 22.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -52.6 124.14 12.94 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -171.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 91.53 -0.55 74.44 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.548 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.07 149.27 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.21 -15.5 6.78 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.63 0.633 . . . . 0.0 112.971 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -83.72 121.72 27.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.054 0.927 . . . . 0.0 112.458 176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -140.0 158.47 44.01 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.767 0.427 . . . . 0.0 110.324 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.6 145.71 32.72 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.063 0.545 . . . . 0.0 109.693 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -131.42 115.92 16.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -155.82 154.3 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.171 0.588 . . . . 0.0 110.955 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.1 118.78 11.71 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.73 -19.57 65.16 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -153.79 124.97 7.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.236 0.471 . . . . 0.0 110.042 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.6 t -120.74 149.92 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.309 1.043 . . . . 0.0 108.309 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.55 139.92 40.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 177.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.1 153.54 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.796 0.438 . . . . 0.0 111.881 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -84.75 158.21 20.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.018 0.437 . . . . 0.0 109.92 174.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -73.86 140.13 45.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.508 0.323 . . . . 0.0 110.929 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.85 6.24 63.76 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 119.011 -0.883 . . . . 0.0 114.688 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.67 175.19 10.56 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.988 1.394 . . . . 0.0 111.853 178.144 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.6 m -92.72 165.43 12.95 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.84 155.71 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.389 1.076 . . . . 0.0 109.108 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -118.55 140.69 49.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.58 0.752 . . . . 0.0 110.047 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.1 89.55 28.39 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 123.818 0.847 . . . . 0.0 110.461 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.29 142.96 46.9 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.174 2.583 . . . . 0.0 111.244 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -161.45 166.78 26.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.038 0.446 . . . . 0.0 111.327 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -152.2 171.06 18.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.138 0.575 . . . . 0.0 110.977 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -140.49 170.35 15.96 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -147.34 150.16 34.21 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.098 0.559 . . . . 0.0 109.855 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -154.09 156.03 31.57 Favored Pre-proline 0 CA--C 1.529 0.16 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -174.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.54 158.63 56.89 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.122 2.548 . . . . 0.0 110.016 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.456 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -79.1 -1.11 34.33 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.249 0.62 . . . . 0.0 111.952 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.87 129.21 38.91 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.75 4.56 69.69 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 119.071 -0.85 . . . . 0.0 114.214 174.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.68 166.57 30.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.99 1.395 . . . . 0.0 112.419 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.13 167.66 18.76 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -62.97 -12.18 23.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -99.87 -6.28 27.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.99 0.516 . . . . 0.0 112.219 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.35 146.26 73.82 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.44 161.74 43.4 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.801 3.001 . . . . 0.0 110.024 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -144.99 144.97 21.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.929 0.395 . . . . 0.0 110.442 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -148.93 165.27 32.08 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.773 1.229 . . . . 0.0 110.038 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.66 158.85 27.17 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -150.02 172.01 15.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -136.37 146.42 46.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.303 1.041 . . . . 0.0 111.533 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.72 148.74 37.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -75.93 137.57 40.44 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 134.96 57.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.28 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.7 -2.73 87.81 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.031 -0.872 . . . . 0.0 113.914 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -84.36 -169.39 2.59 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.301 1.55 . . . . 0.0 107.733 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -131.5 99.81 16.98 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.204 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.37 -19.17 34.17 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 124.093 3.196 . . . . 0.0 113.725 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.258 14.2 p90 -77.77 -6.01 52.62 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -134.39 -30.89 1.12 Allowed 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.428 0.291 . . . . 0.0 110.667 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -89.05 155.27 19.57 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.04 150.72 75.18 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -71.91 153.58 58.33 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 122.941 2.427 . . . . 0.0 109.932 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.94 -16.33 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 176.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.28 15.51 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.021 0.929 . . . . 0.0 109.485 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -161.79 164.66 28.74 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.587 0.355 . . . . 0.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -115.24 -2.04 12.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.536 0.735 . . . . 0.0 111.084 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -75.27 122.15 86.71 Favored Pre-proline 0 N--CA 1.449 -0.49 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.12 -17.96 35.61 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.345 2.697 . . . . 0.0 112.084 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -93.88 -11.57 30.79 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -104.0 137.52 41.85 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.893 0.477 . . . . 0.0 110.492 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -90.95 -178.97 5.36 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.98 0.512 . . . . 0.0 109.934 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.53 172.84 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.392 0.677 . . . . 0.0 112.254 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.65 145.15 40.84 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.808 0.443 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -20.57 64.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -85.49 -11.82 53.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.851 0.296 . . . . 0.0 110.832 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.449 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -115.14 -0.15 13.39 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.86 128.01 34.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.79 2.06 56.03 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 119.535 -0.592 . . . . 0.0 113.288 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.2 mtm105 -119.26 -29.2 5.25 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.306 1.053 . . . . 0.0 112.157 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -97.8 140.3 32.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.57 151.2 25.73 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.143 0.177 . . . . 0.0 110.536 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.61 144.77 30.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.36 178.13 4.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.845 0.858 . . . . 0.0 110.098 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.65 -150.71 36.74 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -138.78 129.66 26.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.414 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -64.96 -30.52 50.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 122.72 0.408 . . . . 0.0 111.421 -177.42 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -79.56 -5.27 54.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.648 0.379 . . . . 0.0 111.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.3 t -106.11 12.75 29.92 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.217 1.007 . . . . 0.0 109.623 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 58.67 24.38 12.08 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.682 1.193 . . . . 0.0 112.971 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -83.22 144.54 29.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.1 p -127.69 11.05 6.68 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.172 0.589 . . . . 0.0 111.351 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -44.08 129.5 6.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.686 0.795 . . . . 0.0 111.763 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.4 tp -111.05 148.23 33.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.664 0.786 . . . . 0.0 109.112 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.8 t -137.85 136.22 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.39 133.8 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -115.99 140.79 48.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.5 t0 48.64 59.64 4.23 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 123.176 0.297 . . . . 0.0 110.277 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 147.9 30.48 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -136.53 163.75 29.78 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.592 0.757 . . . . 0.0 109.219 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -60.8 -18.04 52.99 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.4 tpp85 -73.43 -20.76 60.64 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.374 0.67 . . . . 0.0 111.605 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -75.84 -15.53 60.21 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.592 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.0 tttt -64.87 131.1 45.8 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.87 -149.77 21.28 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -141.62 153.47 44.78 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.075 0.55 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -147.31 166.88 25.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.4 155.92 45.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.209 0.604 . . . . 0.0 110.533 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -90.0 154.33 19.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -134.3 137.08 43.97 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 117.894 0.315 . . . . 0.0 110.946 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -110.01 145.48 36.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.772 0.829 . . . . 0.0 110.382 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -149.13 120.52 7.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.202 0.601 . . . . 0.0 109.617 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -153.99 130.09 10.34 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.5 0.72 . . . . 0.0 109.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.01 -138.79 47.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.2 t -80.84 -10.11 59.75 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.733 -0.275 . . . . 0.0 110.858 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 ttp -84.83 140.96 30.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.543 0.737 . . . . 0.0 111.997 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 146.12 32.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.527 1.131 . . . . 0.0 108.003 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.436 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 71.4 t-105 -154.35 149.35 26.78 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.782 0.264 . . . . 0.0 110.98 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -118.29 131.57 56.34 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.819 0.448 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.307 80.9 m-85 -85.69 60.8 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -141.19 164.21 30.88 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 123.518 0.727 . . . . 0.0 109.649 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.4 m -63.43 144.26 57.12 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.512 0.196 . . . . 0.0 110.976 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -145.47 -177.13 5.41 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.369 1.068 . . . . 0.0 110.703 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.642 HD23 ' H ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -51.72 -38.63 56.04 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -170.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -133.49 21.35 3.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.181 0.593 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -138.08 149.42 45.96 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -145.5 136.69 24.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.353 0.261 . . . . 0.0 110.698 -173.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.3 t -158.33 158.66 34.76 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -77.85 169.1 18.85 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.567 0.747 . . . . 0.0 111.108 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -136.92 169.63 17.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.986 0.915 . . . . 0.0 110.488 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.3 tp -100.54 129.01 46.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.5 t -108.33 143.16 37.59 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.6 t -127.48 140.03 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.592 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.3 m-85 -128.02 148.02 50.53 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.19 143.51 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 122.847 0.459 . . . . 0.0 112.009 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.33 141.87 45.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.82 141.74 58.66 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.53 124.28 22.79 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.8 t -147.49 -0.26 0.66 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -151.05 -11.65 0.22 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 151.64 162.99 11.14 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 118.686 0.676 . . . . 0.0 111.718 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.7 t -74.21 147.22 42.7 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 122.692 0.397 . . . . 0.0 111.494 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.3 tt -83.6 -42.58 16.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.267 0.627 . . . . 0.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.8 t 63.79 128.72 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.327 0 C-N-CA 125.449 1.5 . . . . 0.0 114.35 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.31 163.06 35.94 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.011 2.474 . . . . 0.0 111.926 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.157 -1.401 . . . . 0.0 110.776 178.155 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.707 0.289 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -68.85 154.35 42.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.049 0.54 . . . . 0.0 111.495 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.07 -1.94 78.56 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.923 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -76.7 13.61 0.98 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -157.73 175.62 13.66 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.957 0.903 . . . . 0.0 109.632 -174.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -90.98 161.69 15.05 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -58.83 132.97 55.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -173.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.53 3.66 86.7 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.415 -0.658 . . . . 0.0 113.595 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.16 148.34 41.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.953 1.376 . . . . 0.0 111.117 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.18 -15.35 39.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.39 -0.672 . . . . 0.0 112.908 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -85.24 119.86 26.08 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.614 1.207 . . . . 0.0 112.532 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.3 mt -138.88 152.07 47.48 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 117.847 0.294 . . . . 0.0 111.038 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -148.55 147.23 28.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.5 125.23 35.89 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.744 0.418 . . . . 0.0 110.267 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 31' ' ' CYS . 9.0 p -159.68 162.3 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.427 1.091 . . . . 0.0 110.169 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -62.46 125.88 25.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.01 -14.64 62.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.322 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 tp -152.03 135.66 16.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.159 0.584 . . . . 0.0 110.339 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.6 t -130.91 146.77 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.73 141.77 43.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 177.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -155.02 153.94 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 123.299 0.64 . . . . 0.0 111.089 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -85.83 157.94 20.09 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.017 0.437 . . . . 0.0 110.034 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -72.22 143.06 48.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.025 -0.422 . . . . 0.0 110.92 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.5 5.39 67.08 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-O 119.07 -0.85 . . . . 0.0 114.313 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.84 171.99 13.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.942 1.371 . . . . 0.0 111.189 176.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -94.09 166.29 12.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -170.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.52 157.85 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.919 0.888 . . . . 0.0 109.183 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -121.24 141.07 51.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.623 0.769 . . . . 0.0 110.112 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -133.17 89.27 33.72 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 123.927 0.891 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.13 143.47 44.37 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.081 2.521 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.4 p -161.66 166.61 26.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.8 t -153.74 165.25 36.6 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.935 0.494 . . . . 0.0 110.85 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -137.44 170.14 16.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 t -144.81 149.3 35.21 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.254 0.621 . . . . 0.0 110.446 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -155.15 155.9 30.56 Favored Pre-proline 0 CA--C 1.529 0.172 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -67.2 159.3 52.81 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.365 2.71 . . . . 0.0 110.284 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.3 tt0 -80.92 -0.89 41.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.33 132.74 46.89 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.79 2.37 78.7 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.123 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -148.03 165.38 30.95 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.735 1.268 . . . . 0.0 112.326 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.21 167.63 17.36 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.47 -10.35 17.11 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.9 p -110.02 -2.33 17.12 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.51 146.73 86.53 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.84 160.88 47.96 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.797 2.998 . . . . 0.0 110.286 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 144.51 20.96 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 122.746 0.418 . . . . 0.0 110.541 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.17 166.92 27.38 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.484 1.114 . . . . 0.0 110.002 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.58 157.95 27.16 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -151.73 171.71 17.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -136.79 149.46 47.79 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.352 1.061 . . . . 0.0 111.525 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -144.66 154.03 42.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.79 0.436 . . . . 0.0 110.578 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -75.27 148.75 39.15 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.73 136.47 58.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.769 -0.582 . . . . 0.0 109.539 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.39 -8.93 59.92 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.077 0.37 . . . . 0.0 112.308 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.03 134.23 35.37 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.01 0.924 . . . . 0.0 113.355 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -74.78 126.27 88.61 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.01 4.77 4.97 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.635 2.89 . . . . 0.0 113.811 -174.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.323 5.0 p90 -139.94 16.44 2.47 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -129.44 3.66 5.1 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 122.583 0.353 . . . . 0.0 111.755 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -158.24 167.43 29.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.79 149.13 98.0 Favored Pre-proline 0 N--CA 1.455 -0.214 0 C-N-CA 123.106 0.562 . . . . 0.0 111.141 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.71 160.11 49.0 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.828 3.019 . . . . 0.0 110.16 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -81.98 -17.39 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 154.25 17.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.729 0.811 . . . . 0.0 109.208 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -162.83 165.37 25.39 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.69 0.281 . . . . 0.0 111.343 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -117.38 -1.39 11.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.343 0.657 . . . . 0.0 110.898 175.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -72.7 124.94 91.36 Favored Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.33 -18.69 38.89 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 123.422 2.748 . . . . 0.0 112.529 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -98.92 -14.92 19.35 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -84.81 149.91 25.4 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.304 0.642 . . . . 0.0 111.014 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -109.63 179.59 4.09 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.441 0.696 . . . . 0.0 109.755 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.87 173.65 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -58.72 146.73 35.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.454 0.702 . . . . 0.0 111.481 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.2 65.3 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -86.05 -9.38 56.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.986 0.357 . . . . 0.0 111.376 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -116.27 -1.43 12.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -60.93 130.87 48.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.757 0.423 . . . . 0.0 109.923 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.67 1.96 54.93 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.049 -0.862 . . . . 0.0 113.341 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -120.55 -37.02 3.08 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.995 1.397 . . . . 0.0 111.854 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -84.2 138.94 32.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 174.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -157.1 149.93 23.55 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -101.98 144.79 30.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.2 mt -118.63 179.06 4.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.99 0.916 . . . . 0.0 110.366 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.12 -149.64 34.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -138.96 128.39 24.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.33 -30.06 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.888 0.475 . . . . 0.0 111.338 -177.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.07 -2.35 40.06 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 122.694 0.398 . . . . 0.0 110.736 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -111.91 12.9 20.84 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.542 1.137 . . . . 0.0 109.619 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 60.11 24.47 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.608 1.163 . . . . 0.0 113.558 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -80.52 142.45 34.16 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -123.06 10.28 9.4 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.34 0.656 . . . . 0.0 111.231 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.5 m -44.6 129.61 6.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.958 0.903 . . . . 0.0 111.821 -172.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.1 tp -114.38 147.59 38.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.181 0.992 . . . . 0.0 108.854 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -137.4 136.57 37.97 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 110.086 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -107.28 124.7 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -102.29 140.56 36.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 45.56 58.67 4.08 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 148.29 17.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -133.99 166.07 23.56 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.128 0.971 . . . . 0.0 109.642 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -61.36 -18.92 60.98 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -74.08 -15.37 61.06 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -80.63 -13.73 58.79 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.66 0.384 . . . . 0.0 111.52 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.589 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -68.62 134.74 50.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.35 -150.15 22.29 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -140.62 152.37 45.37 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 123.119 0.568 . . . . 0.0 110.332 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -146.59 165.25 30.06 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.89 157.9 44.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -93.8 154.42 17.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -129.65 132.56 46.73 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 122.704 0.402 . . . . 0.0 110.338 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -103.02 144.34 31.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.086 0.954 . . . . 0.0 110.118 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -148.33 118.88 7.43 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -153.79 130.82 11.02 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 123.537 0.735 . . . . 0.0 109.209 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.79 -138.14 48.8 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.6 p -85.21 -6.37 59.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.089 0.445 . . . . 0.0 110.925 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.3 ttp -86.09 135.99 33.4 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 111.58 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -142.4 143.59 32.74 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.816 1.247 . . . . 0.0 108.862 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -154.9 151.28 28.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 122.371 -0.206 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -120.78 129.2 53.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.073 0.549 . . . . 0.0 110.324 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.28 77.3 m-85 -81.57 62.45 5.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.17 162.03 36.66 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.242 0.617 . . . . 0.0 109.795 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.6 p -63.84 150.95 43.66 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.681 0.392 . . . . 0.0 111.895 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -145.5 -166.79 2.52 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.99 0.916 . . . . 0.0 110.184 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 123' ' ' LEU . 2.2 pt? -51.86 -35.31 44.42 Favored 'General case' 0 C--N 1.339 0.144 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -175.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -137.22 -18.74 1.29 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.765 0.426 . . . . 0.0 111.937 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -84.13 148.06 27.0 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -146.38 139.73 25.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.75 0.25 . . . . 0.0 110.884 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.5 t -159.57 162.87 35.43 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.742 0.817 . . . . 0.0 110.672 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -77.37 171.51 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.032 0.533 . . . . 0.0 110.98 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.03 163.34 32.67 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.088 0.955 . . . . 0.0 110.239 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 tp -100.56 119.53 38.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 t -97.71 142.84 29.01 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.83 140.58 48.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.589 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -128.02 146.1 50.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.5 t -135.9 143.15 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.93 0.492 . . . . 0.0 110.882 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -134.42 141.06 46.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.16 140.73 58.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.915 0.388 . . . . 0.0 110.631 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.3 121.56 17.87 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -145.61 -18.81 0.47 Allowed 'General case' 0 C--O 1.231 0.089 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -162.11 138.11 7.66 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.7 0.8 . . . . 0.0 109.388 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 61.59 -173.57 7.14 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 123.441 0.543 . . . . 0.0 113.129 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.2 p -160.29 154.96 24.01 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.929 0.892 . . . . 0.0 109.444 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.3 tt -81.97 -52.6 6.89 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.4 t 58.73 128.78 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.81 153.16 73.45 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.758 2.305 . . . . 0.0 110.674 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 117.558 -1.21 . . . . 0.0 110.282 -179.775 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 120.635 0.255 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -69.13 154.71 41.61 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 122.893 0.477 . . . . 0.0 110.519 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.79 -11.9 69.99 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -80.31 0.94 30.71 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -155.2 -172.25 4.11 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.681 0.793 . . . . 0.0 110.723 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -130.62 164.13 25.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.275 38.3 t80 -59.11 130.09 45.3 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -171.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.458 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 83.42 6.76 87.31 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.28 -178.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -58.82 142.14 51.2 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.33 -15.43 9.12 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.878 0.751 . . . . 0.0 112.925 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -81.75 114.42 20.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.32 1.06 . . . . 0.0 112.755 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -137.74 153.71 49.7 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 122.643 0.377 . . . . 0.0 110.433 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 147.53 29.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -130.49 127.34 39.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.111 0.564 . . . . 0.0 109.696 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -157.56 157.72 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.751 0.82 . . . . 0.0 110.258 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.5 118.11 8.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -68.17 -18.87 64.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -153.72 125.19 7.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.281 0.492 . . . . 0.0 110.307 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.8 147.85 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.492 1.117 . . . . 0.0 108.246 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.54 140.4 41.04 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.86 154.3 7.91 Favored 'Isoleucine or valine' 0 C--N 1.337 0.032 0 C-N-CA 122.679 0.391 . . . . 0.0 111.047 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -86.61 156.97 19.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.87 142.17 53.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.22 -0.3 . . . . 0.0 110.589 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.81 3.65 65.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.846 -0.974 . . . . 0.0 114.647 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.66 171.91 13.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 119.298 1.549 . . . . 0.0 111.396 176.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 m -93.37 166.36 12.33 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.64 157.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.467 1.107 . . . . 0.0 109.216 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -121.07 142.15 50.1 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.764 0.826 . . . . 0.0 110.333 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.6 t -135.15 88.54 25.92 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.285 1.034 . . . . 0.0 110.959 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.32 143.08 47.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.348 2.699 . . . . 0.0 111.129 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.478 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.0 p -162.55 166.53 24.63 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 111.35 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.0 p -153.72 169.46 23.27 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.15 0.58 . . . . 0.0 110.922 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -141.23 170.27 16.05 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.1 m -143.13 147.32 34.78 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.137 0.975 . . . . 0.0 110.343 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -153.62 154.85 30.93 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -67.21 154.34 74.52 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.048 2.499 . . . . 0.0 109.857 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 56.1 tt0 -80.35 -1.54 41.57 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.776 0.43 . . . . 0.0 111.842 -177.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -70.91 141.39 51.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.21 1.34 90.35 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.209 -0.773 . . . . 0.0 114.273 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.427 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 66.8 p-90 -151.44 165.83 32.94 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.76 1.28 . . . . 0.0 111.914 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.9 161.78 27.48 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -60.51 -27.83 67.91 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -86.86 -6.47 58.79 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.97 149.36 94.87 Favored Pre-proline 0 C--O 1.231 0.13 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.73 158.7 56.1 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.55 2.833 . . . . 0.0 109.892 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.99 147.47 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 122.593 0.357 . . . . 0.0 110.158 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -149.22 164.06 35.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.808 1.243 . . . . 0.0 110.161 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.8 155.49 26.19 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -148.92 170.8 17.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 -173.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -135.91 147.03 47.97 Favored 'General case' 0 CA--C 1.522 -0.115 0 C-N-CA 124.365 1.066 . . . . 0.0 111.627 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -143.96 152.48 41.14 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.34 137.6 39.94 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.98 135.83 56.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.972 0.415 . . . . 0.0 110.639 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.94 -5.84 81.13 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-O 118.914 -0.936 . . . . 0.0 114.126 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -84.39 -178.23 6.86 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.379 1.59 . . . . 0.0 107.571 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -108.9 112.64 60.08 Favored Pre-proline 0 C--O 1.233 0.191 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.55 -10.79 29.62 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.423 2.082 . . . . 0.0 110.524 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -94.25 -5.21 47.34 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -130.98 -14.76 3.44 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -113.54 158.11 21.18 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.44 149.34 84.02 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.76 155.45 53.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.865 2.377 . . . . 0.0 110.063 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -83.32 -16.79 11.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 O-C-N 122.148 -0.345 . . . . 0.0 111.834 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.63 153.63 13.01 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.396 1.078 . . . . 0.0 108.809 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -162.36 154.96 19.53 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -90.39 -13.32 35.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.707 0.803 . . . . 0.0 110.929 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -72.73 120.86 83.04 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -73.0 -17.16 25.27 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.428 2.752 . . . . 0.0 112.393 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -97.82 -15.16 20.37 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -92.43 133.98 35.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.864 0.466 . . . . 0.0 110.366 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -82.86 179.31 7.81 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.807 0.443 . . . . 0.0 110.002 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.62 173.58 14.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.11 0.564 . . . . 0.0 111.508 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -58.52 144.6 42.0 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.448 0.299 . . . . 0.0 111.33 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.8 65.83 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -84.35 -9.82 58.11 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.988 0.358 . . . . 0.0 111.043 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.457 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.28 -0.52 12.01 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -59.85 127.13 30.44 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.53 -1.48 43.91 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.643 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -113.39 -33.3 5.97 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.969 1.384 . . . . 0.0 112.063 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -87.44 141.45 28.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 174.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.32 147.44 22.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.3 mt -101.51 144.41 30.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 mt -115.98 171.27 7.89 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.676 0.79 . . . . 0.0 110.43 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.2 -155.44 50.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.258 7.5 p30 -137.26 144.85 42.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 178.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -23.82 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.833 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -81.58 5.32 18.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.302 0.641 . . . . 0.0 111.736 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t -126.77 15.09 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.941 0.897 . . . . 0.0 109.753 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 58.96 24.75 12.95 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.375 1.07 . . . . 0.0 113.227 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -82.46 144.85 30.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.7 p -128.03 9.94 6.35 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.339 0.656 . . . . 0.0 111.464 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 m -45.08 131.4 7.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.956 0.903 . . . . 0.0 111.482 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.6 tp -115.95 148.07 40.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 108.924 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.8 t -138.64 135.42 34.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 124.68 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -103.37 140.68 37.12 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.9 t0 48.68 62.4 2.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 147.68 37.64 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -139.18 165.54 26.89 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.738 0.815 . . . . 0.0 109.721 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.7 -13.8 26.11 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -76.39 -16.25 59.76 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.036 0.534 . . . . 0.0 111.529 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -83.69 -15.49 48.56 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 122.983 0.513 . . . . 0.0 111.83 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.572 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -65.31 133.61 51.79 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.99 -150.47 22.53 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.2 m -142.46 153.24 43.5 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.078 0.551 . . . . 0.0 109.974 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -148.37 166.65 27.44 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -144.48 158.71 43.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -94.25 154.57 17.47 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -131.81 137.24 48.05 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 122.436 0.294 . . . . 0.0 110.208 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.8 145.49 38.06 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 124.398 1.079 . . . . 0.0 110.288 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -150.94 119.43 6.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -153.48 131.71 11.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 109.082 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.96 -141.06 47.37 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.1 t -81.88 -5.9 58.64 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.102 0.451 . . . . 0.0 110.816 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -90.76 141.9 28.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.223 0.609 . . . . 0.0 112.163 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 145.33 31.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 174.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.458 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.8 t-105 -154.08 147.53 25.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.506 0.139 . . . . 0.0 111.137 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.4 m -116.11 131.13 57.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.667 0.387 . . . . 0.0 110.026 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.308 81.1 m-85 -82.04 57.93 3.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -134.99 158.11 45.18 Favored 'General case' 0 C--O 1.227 -0.094 0 C-N-CA 123.925 0.89 . . . . 0.0 108.909 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.4 m -63.81 145.2 56.22 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 122.182 -0.324 . . . . 0.0 110.82 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -145.79 -176.26 5.07 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.065 0.946 . . . . 0.0 110.61 -173.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.595 HD23 ' H ' ' A' ' 123' ' ' LEU . 1.1 pt? -50.81 -34.87 29.38 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -170.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -135.48 20.41 3.36 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.154 0.582 . . . . 0.0 110.649 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.257 22.4 t80 -137.04 148.83 47.06 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -171.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -145.9 136.89 24.57 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.138 0.575 . . . . 0.0 110.857 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.5 t -156.28 160.85 40.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.888 0.475 . . . . 0.0 111.793 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -76.9 169.78 17.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.081 0.467 . . . . 0.0 110.873 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -139.17 166.13 25.34 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.685 0.794 . . . . 0.0 110.673 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.48 123.67 45.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.2 t -102.45 142.92 32.87 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 172.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.12 141.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.149 0.58 . . . . 0.0 109.92 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.9 m-85 -130.27 147.05 51.95 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.8 t -135.43 143.45 36.76 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 C-N-CA 122.795 0.438 . . . . 0.0 111.526 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -134.61 142.13 46.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.76 141.37 58.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.985 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.4 HD13 ' N ' ' A' ' 138' ' ' THR . 1.1 tm? -69.77 123.19 20.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.4 ' N ' HD13 ' A' ' 137' ' ' LEU . 6.3 t -146.56 -20.93 0.42 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 176.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -160.68 136.56 8.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 62.38 -174.15 8.06 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-O 121.275 0.375 . . . . 0.0 113.153 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 87.1 p -159.7 154.08 23.85 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.982 0.913 . . . . 0.0 109.315 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.0 tt -80.96 -50.87 9.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 119.5 -0.286 . . . . 0.0 111.649 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.5 t 58.14 127.79 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 125.729 1.612 . . . . 0.0 115.158 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.53 145.43 82.28 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.159 1.906 . . . . 0.0 110.454 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 70.8 mmt-85 . . . . . 0 C--O 1.253 1.25 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.624 -179.459 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 120.674 0.274 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -69.21 152.54 44.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.865 0.364 . . . . 0.0 110.396 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.62 -1.09 59.14 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.347 0.499 . . . . 0.0 112.692 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.54 -11.37 60.01 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.142 0.971 . . . . 0.0 109.135 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -155.27 171.46 19.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.748 0.819 . . . . 0.0 109.676 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -133.01 166.23 22.88 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -56.63 129.27 40.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -170.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 89.29 0.56 79.9 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.412 -0.66 . . . . 0.0 113.585 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -60.17 149.11 33.86 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.71 -14.92 8.61 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.433 -0.648 . . . . 0.0 113.106 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.41 119.5 25.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.084 0.942 . . . . 0.0 112.653 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.7 mt -138.73 158.13 44.82 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.723 0.409 . . . . 0.0 110.527 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -143.93 143.51 31.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.105 0.562 . . . . 0.0 109.938 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -129.66 113.46 14.8 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.3 p -154.68 155.81 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.392 0.677 . . . . 0.0 110.702 -176.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -67.82 119.27 12.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.511 0.724 . . . . 0.0 109.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.77 -19.13 64.31 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.61 124.35 7.86 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 118.35 0.523 . . . . 0.0 110.249 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -121.11 148.06 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.739 1.216 . . . . 0.0 108.242 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.81 141.97 42.9 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.89 154.63 7.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 122.906 0.482 . . . . 0.0 110.954 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.01 156.17 19.45 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -68.38 140.93 55.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.21 -0.306 . . . . 0.0 110.686 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.19 65.83 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.728 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.77 173.84 11.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 119.268 1.534 . . . . 0.0 111.696 176.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -91.75 167.41 12.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.72 155.32 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 124.539 1.136 . . . . 0.0 109.251 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -120.0 140.21 51.3 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.569 0.748 . . . . 0.0 110.157 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 t -134.35 89.12 28.28 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 123.732 0.813 . . . . 0.0 111.283 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -70.1 142.81 47.4 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.291 2.66 . . . . 0.0 111.237 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB3' HG23 ' A' ' 15' ' ' VAL . 17.0 p -161.48 167.66 25.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 122.196 0.198 . . . . 0.0 111.275 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -153.0 172.22 17.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.195 0.598 . . . . 0.0 110.692 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -141.41 170.71 15.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 t -147.72 149.63 32.79 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.042 0.537 . . . . 0.0 110.118 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -152.89 156.12 32.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -172.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.85 157.69 60.63 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.199 2.599 . . . . 0.0 110.339 173.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.7 tt0 -80.22 -1.93 42.72 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.142 0.577 . . . . 0.0 112.283 -177.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.76 139.82 55.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 4.98 90.06 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.75 -1.028 . . . . 0.0 114.326 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.3 p-90 -151.19 166.24 31.47 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 119.331 1.566 . . . . 0.0 112.88 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.94 166.36 22.53 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.04 -10.85 11.1 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -100.06 -5.3 28.21 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.952 0.501 . . . . 0.0 111.785 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 94.9 m-20 -75.6 157.71 83.96 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 24.0 Cg_exo -67.98 173.14 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.024 3.149 . . . . 0.0 112.072 172.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.08 140.1 27.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 124.0 0.92 . . . . 0.0 112.328 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -149.29 162.73 39.46 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.531 0.732 . . . . 0.0 111.026 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.81 156.23 26.57 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -152.24 172.49 16.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -138.46 147.78 43.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.729 1.212 . . . . 0.0 111.46 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -144.98 153.04 41.09 Favored 'General case' 0 CA--C 1.522 -0.12 0 C-N-CA 122.938 0.495 . . . . 0.0 110.584 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -74.63 146.51 42.37 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.3 135.46 56.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.66 -9.0 78.95 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.51 -0.605 . . . . 0.0 113.003 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -69.02 160.1 31.6 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -104.81 97.99 14.09 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.5 -13.86 41.67 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.515 2.81 . . . . 0.0 114.509 -168.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.28 19.2 p90 -94.24 -0.7 54.93 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -134.09 -29.04 1.3 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 122.3 0.24 . . . . 0.0 111.389 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -84.15 156.64 22.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.293 0.637 . . . . 0.0 111.671 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.11 143.67 61.56 Favored Pre-proline 0 N--CA 1.45 -0.468 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -72.32 154.45 56.25 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.911 2.407 . . . . 0.0 110.23 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -81.73 -16.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 122.319 -0.238 . . . . 0.0 111.539 175.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.88 151.41 14.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.011 0.924 . . . . 0.0 109.219 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -161.72 161.57 29.4 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -110.48 -1.31 17.06 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.558 0.743 . . . . 0.0 110.673 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -70.51 127.79 91.71 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -71.22 -16.87 31.53 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.554 2.836 . . . . 0.0 112.817 -175.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -109.92 -15.89 13.97 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -84.89 138.02 32.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.15 -0.344 . . . . 0.0 110.206 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -87.52 -178.96 6.25 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.101 0.56 . . . . 0.0 110.259 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.52 170.14 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.084 0 C-N-CA 123.642 0.777 . . . . 0.0 111.947 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.55 148.0 30.18 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.988 0.515 . . . . 0.0 111.406 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.89 64.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -84.28 -12.29 54.94 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.995 0.361 . . . . 0.0 111.377 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.467 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.66 -1.59 13.98 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.62 128.77 38.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.71 1.6 58.88 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.791 -1.005 . . . . 0.0 113.412 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -119.11 -35.59 3.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.867 1.333 . . . . 0.0 111.87 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.467 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -85.2 139.02 31.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -157.36 149.02 22.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.294 -0.254 . . . . 0.0 110.778 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.0 mt -100.37 141.14 33.63 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.0 mt -115.89 -11.01 11.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.818 0.447 . . . . 0.0 111.828 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.76 143.85 23.68 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.08 124.22 28.55 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -28.28 44.19 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 122.576 0.35 . . . . 0.0 111.424 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -84.01 4.69 28.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.911 0.484 . . . . 0.0 111.072 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -121.95 13.09 10.55 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.064 0.945 . . . . 0.0 110.422 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 58.03 21.66 8.06 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.371 1.068 . . . . 0.0 113.328 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.03 147.31 24.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -128.8 12.23 6.24 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.626 0.77 . . . . 0.0 112.282 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.6 m -44.54 126.95 5.75 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.66 0.784 . . . . 0.0 111.795 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.2 tp -110.04 149.74 29.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.526 1.13 . . . . 0.0 109.479 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.7 t -139.23 137.02 35.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.164 -0.335 . . . . 0.0 110.346 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.83 124.88 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 176.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -102.46 141.55 35.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 45.62 58.53 4.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.88 148.98 15.78 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -135.24 165.29 25.77 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 123.851 0.861 . . . . 0.0 109.879 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.97 -15.12 27.94 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -78.52 -15.49 58.53 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.287 0.635 . . . . 0.0 111.467 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -81.17 -13.04 59.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.554 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.5 tttt -66.43 133.33 50.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.53 -151.82 23.7 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -138.77 152.49 47.96 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 123.015 0.526 . . . . 0.0 109.991 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -146.61 165.08 30.61 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -139.58 155.2 47.62 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.101 0.561 . . . . 0.0 111.646 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -87.95 154.59 20.39 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -131.69 130.18 41.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.831 0.287 . . . . 0.0 110.418 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.2 146.49 25.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.676 0.79 . . . . 0.0 110.526 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -144.55 117.04 8.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 172.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -148.79 116.81 6.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.63 -138.89 47.66 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.6 m -79.36 -6.19 56.23 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.815 0.307 . . . . 0.0 111.404 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -95.11 145.16 25.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.362 0.665 . . . . 0.0 112.134 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 148.59 36.61 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.431 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.6 t-105 -150.89 151.57 32.39 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.425 0.155 . . . . 0.0 110.711 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.97 131.18 53.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.995 0.518 . . . . 0.0 110.261 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.305 79.4 m-85 -84.12 62.57 7.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -174.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -140.4 159.97 41.01 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.6 m -66.22 151.86 46.09 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.475 0.31 . . . . 0.0 111.534 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -147.41 -168.53 3.08 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.719 0.808 . . . . 0.0 110.733 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 123' ' ' LEU . 2.0 pt? -54.12 -38.14 65.1 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -134.61 13.4 3.74 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.923 0.489 . . . . 0.0 111.254 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.27 33.9 t80 -130.65 149.45 52.3 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -174.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -145.61 136.93 24.96 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.888 0.475 . . . . 0.0 110.72 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.6 t -158.36 157.05 31.62 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.118 0.567 . . . . 0.0 111.524 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.86 170.95 15.61 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.812 0.445 . . . . 0.0 111.013 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -136.25 169.37 17.75 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.001 0.92 . . . . 0.0 110.88 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.0 tp -100.53 127.79 46.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 t -106.44 143.32 34.72 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 172.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.39 140.4 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.094 0.558 . . . . 0.0 109.737 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.554 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.1 m-85 -129.35 146.59 51.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 14.7 t -135.55 143.25 37.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.989 0.515 . . . . 0.0 111.991 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -135.99 143.59 44.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.62 141.69 58.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.729 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 138' ' ' THR . 1.1 tm? -70.37 123.3 21.41 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.401 ' N ' HD13 ' A' ' 137' ' ' LEU . 6.2 t -147.3 -19.62 0.39 Allowed 'General case' 0 CA--C 1.527 0.07 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 176.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -162.11 136.53 6.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.547 0.739 . . . . 0.0 109.046 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 64.52 -177.65 9.23 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 123.062 0.363 . . . . 0.0 112.837 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 79.1 p -161.14 152.35 18.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.917 0.887 . . . . 0.0 109.201 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.0 tt -78.37 -59.6 2.72 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.8 t 42.63 83.97 0.19 Allowed Pre-proline 0 CA--C 1.534 0.327 0 C-N-CA 124.937 1.295 . . . . 0.0 114.125 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.31 143.88 44.62 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.988 2.459 . . . . 0.0 110.716 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.105 -1.426 . . . . 0.0 112.312 178.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.72 150.41 47.32 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.371 0.268 . . . . 0.0 110.515 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.51 13.11 76.84 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.7 t0 55.73 67.09 1.06 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.022 0.929 . . . . 0.0 113.043 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -156.38 176.97 11.99 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.602 0.761 . . . . 0.0 110.304 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -137.33 166.57 23.49 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.01 0.924 . . . . 0.0 108.592 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 29.8 t80 -52.79 124.02 12.88 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -172.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 82.28 2.96 90.7 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.171 -0.794 . . . . 0.0 113.363 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -66.99 152.33 45.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.929 1.365 . . . . 0.0 108.498 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.0 -15.71 9.99 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.62 0.629 . . . . 0.0 113.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.76 118.93 24.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.176 0.988 . . . . 0.0 113.273 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -139.14 151.37 46.59 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.642 0.377 . . . . 0.0 110.193 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -148.6 148.51 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -130.5 127.5 39.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.8 p -156.85 156.27 4.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 123.53 0.732 . . . . 0.0 110.445 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -65.45 117.75 8.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -70.41 -16.63 62.97 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 tp -152.36 122.76 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.267 0.485 . . . . 0.0 110.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.89 149.12 22.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.61 141.43 41.26 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.92 153.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.82 0.448 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -85.92 156.18 20.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.103 0.478 . . . . 0.0 109.785 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.33 139.82 54.27 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.089 -0.382 . . . . 0.0 110.877 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.88 3.92 63.73 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.874 -0.959 . . . . 0.0 114.806 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.46 176.94 9.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.264 1.532 . . . . 0.0 111.948 177.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -91.74 164.73 13.61 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -170.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.18 155.15 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 173.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -119.99 140.76 50.45 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.402 0.681 . . . . 0.0 110.322 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -133.66 88.47 33.56 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.944 0.898 . . . . 0.0 111.335 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.08 142.93 43.27 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.361 2.707 . . . . 0.0 111.01 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.6 p -161.43 167.16 26.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.434 177.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.8 t -153.74 166.22 33.54 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.81 0.444 . . . . 0.0 110.698 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -140.66 169.98 16.62 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.4 t -145.6 147.69 32.32 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.046 0.938 . . . . 0.0 110.122 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -154.54 155.52 30.72 Favored Pre-proline 0 N--CA 1.454 -0.251 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -174.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.45 157.59 61.19 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.232 2.621 . . . . 0.0 110.346 174.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.9 tt0 -79.68 0.39 30.57 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.943 0.497 . . . . 0.0 111.663 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.69 129.12 39.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.26 5.48 69.98 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 119.253 -0.749 . . . . 0.0 113.912 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -153.82 166.92 31.39 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.773 1.286 . . . . 0.0 112.076 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.0 164.7 23.71 Favored 'General case' 0 CA--C 1.526 0.043 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -62.6 -10.84 13.56 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 t -98.57 -9.18 25.24 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.034 0.533 . . . . 0.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -74.51 148.07 85.35 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.1 166.89 28.31 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.688 2.925 . . . . 0.0 110.217 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.58 146.38 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.705 0.402 . . . . 0.0 110.703 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -149.18 164.76 33.82 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.194 1.397 . . . . 0.0 110.433 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.19 158.26 26.77 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -151.68 171.41 17.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 -175.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -136.98 148.59 46.99 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.016 1.327 . . . . 0.0 111.272 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -144.94 151.23 38.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.869 0.468 . . . . 0.0 110.464 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -72.77 145.86 46.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.5 136.18 56.68 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.93 -9.28 78.24 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-O 119.458 -0.634 . . . . 0.0 112.602 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -68.8 163.47 24.07 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -114.85 97.61 47.87 Favored Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 124.219 1.008 . . . . 0.0 108.322 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -56.66 -23.01 46.82 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 123.908 3.072 . . . . 0.0 114.749 -172.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.286 14.4 p90 -87.41 -3.03 59.01 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 116.723 2.12 . . . . 0.0 116.723 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -134.33 -24.59 1.59 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.354 0.262 . . . . 0.0 111.429 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -93.94 154.34 17.73 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.383 0.673 . . . . 0.0 111.728 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.38 145.52 55.69 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -71.9 155.03 58.29 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.129 2.553 . . . . 0.0 110.744 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.23 -15.41 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.63 152.19 17.65 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.693 0.797 . . . . 0.0 109.701 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -161.45 166.25 27.53 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.596 0.358 . . . . 0.0 111.482 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -119.74 -1.37 10.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.731 0.812 . . . . 0.0 111.371 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -75.99 124.23 88.39 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -69.0 -18.86 40.37 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.403 2.735 . . . . 0.0 112.764 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -94.17 -13.61 26.5 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -87.69 153.04 21.68 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.295 0.638 . . . . 0.0 110.756 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -115.96 177.61 4.62 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.517 0.727 . . . . 0.0 109.676 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -131.38 168.81 23.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -58.71 145.77 38.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.295 0.638 . . . . 0.0 110.803 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.25 -19.72 65.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -87.45 -4.36 59.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.956 0.344 . . . . 0.0 111.574 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -124.31 -6.66 7.64 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 176.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.26 132.08 52.79 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.83 0.348 . . . . 0.0 110.194 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.76 3.87 74.61 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.907 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -127.46 -35.15 2.19 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 118.422 1.111 . . . . 0.0 112.333 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -89.92 140.44 29.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 175.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -155.64 146.52 22.29 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 117.696 0.226 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.82 144.93 28.31 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.14 178.27 4.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.58 0.752 . . . . 0.0 109.864 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -151.14 36.08 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -141.07 130.04 23.2 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.405 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.2 -29.61 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.136 0.575 . . . . 0.0 111.282 -177.49 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -80.38 -4.65 54.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.291 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -107.13 10.63 30.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.02 0.928 . . . . 0.0 109.516 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 59.32 24.99 13.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.589 1.156 . . . . 0.0 113.147 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -83.08 143.02 30.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.1 p -122.64 10.93 9.76 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 123.281 0.633 . . . . 0.0 111.515 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -45.63 131.36 8.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.876 0.87 . . . . 0.0 112.292 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -116.56 149.17 40.07 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.974 0.91 . . . . 0.0 108.831 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 t -139.75 138.72 36.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 120.919 0.39 . . . . 0.0 110.103 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.9 137.57 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -124.75 140.9 52.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.506 0.722 . . . . 0.0 109.31 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.06 57.15 6.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.36 147.77 30.04 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -132.34 167.06 20.55 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.91 -17.08 55.46 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp85 -79.94 -14.09 58.87 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.023 0.374 . . . . 0.0 111.915 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.06 -15.45 58.89 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.56 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.6 tttt -64.65 130.87 45.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.773 0.429 . . . . 0.0 109.898 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.27 -151.63 23.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.7 m -138.56 154.68 48.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.203 0.601 . . . . 0.0 110.526 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -147.1 165.78 28.9 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.77 0.428 . . . . 0.0 110.075 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -140.77 157.47 45.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.392 0.677 . . . . 0.0 110.957 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -93.45 154.41 17.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -131.89 133.48 44.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.548 0.339 . . . . 0.0 110.382 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 tp -105.41 145.45 30.8 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.079 0.952 . . . . 0.0 110.306 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -149.49 119.86 7.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.046 0.539 . . . . 0.0 109.693 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -152.03 131.34 12.85 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.915 0.886 . . . . 0.0 108.616 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -140.56 47.11 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.0 m -79.94 -8.34 59.28 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.861 0.33 . . . . 0.0 111.379 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -91.69 144.33 25.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -144.37 149.84 36.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.562 1.145 . . . . 0.0 108.129 173.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.413 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 71.6 t-105 -152.56 152.54 31.98 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.458 0.17 . . . . 0.0 110.814 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -121.85 130.65 53.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.171 0.588 . . . . 0.0 109.863 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 79.1 m-85 -85.22 61.63 6.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 -175.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -143.84 165.4 27.8 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.548 0.739 . . . . 0.0 109.604 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p -61.01 144.07 54.11 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.011 0.434 . . . . 0.0 111.136 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -147.13 -177.91 5.92 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.559 1.144 . . . . 0.0 110.601 -175.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.649 HD23 ' H ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -52.23 -36.32 52.01 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -170.046 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -134.38 20.55 3.67 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 118.314 0.506 . . . . 0.0 110.863 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -139.89 148.97 42.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 -172.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -146.25 143.75 29.41 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.327 0.251 . . . . 0.0 110.818 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.9 t -158.88 163.01 36.99 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.456 0.702 . . . . 0.0 111.353 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.56 171.15 15.35 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.974 0.51 . . . . 0.0 110.882 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -139.16 166.16 25.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.224 1.01 . . . . 0.0 110.694 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.38 125.59 46.66 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -104.41 143.24 33.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.0 t -128.61 141.38 46.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 122.857 0.463 . . . . 0.0 109.757 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.56 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.0 m-85 -130.38 146.69 51.99 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.83 143.42 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.881 0.472 . . . . 0.0 111.641 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -136.32 142.81 43.9 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.89 141.39 58.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 120.41 15.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.1 t -145.27 -18.3 0.49 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -161.22 137.99 8.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.98 -175.13 10.97 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 123.242 0.448 . . . . 0.0 113.059 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.2 t -160.05 151.93 20.23 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.964 0.906 . . . . 0.0 109.273 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.6 tt -79.04 -54.46 5.99 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 119.627 -0.225 . . . . 0.0 111.343 -176.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.3 t 47.3 99.0 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.15 143.97 60.84 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.68 2.92 . . . . 0.0 111.971 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.245 -1.36 . . . . 0.0 110.089 -178.767 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -63.39 157.98 21.76 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 111.674 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.65 0.59 87.9 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.536 -0.591 . . . . 0.0 113.052 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -75.28 68.59 2.02 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 117.962 0.881 . . . . 0.0 111.519 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -157.17 175.25 14.29 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.073 0.949 . . . . 0.0 110.1 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -124.39 165.87 16.96 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.251 67.8 t80 -57.24 129.63 42.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 115.953 1.835 . . . . 0.0 115.953 -171.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.446 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 87.85 1.71 82.24 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.296 -0.725 . . . . 0.0 113.396 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.45 149.6 29.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 175.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.83 -16.22 7.1 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.861 0.743 . . . . 0.0 112.905 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -82.89 118.16 23.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.182 0.991 . . . . 0.0 113.243 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 mt -139.34 150.75 45.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.808 0.443 . . . . 0.0 110.134 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.68 146.53 28.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.752 0.421 . . . . 0.0 109.999 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.58 124.7 36.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 31' ' ' CYS . 10.6 p -155.62 156.92 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 110.746 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -66.76 118.21 9.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -67.3 -21.38 65.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.82 122.11 7.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.777 0.322 . . . . 0.0 110.213 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -117.2 148.71 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.418 1.087 . . . . 0.0 108.297 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.63 140.77 41.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.98 152.44 10.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.137 0 C-N-CA 122.725 0.41 . . . . 0.0 110.892 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' HB2' HD11 ' A' ' 25' ' ' LEU . 34.1 mt-30 -85.52 157.12 20.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -69.84 141.3 53.28 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.966 -0.459 . . . . 0.0 110.888 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 6.12 68.33 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 119.169 -0.795 . . . . 0.0 114.641 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.08 176.64 9.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.045 1.423 . . . . 0.0 111.497 176.106 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -91.85 167.32 12.23 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.44 154.55 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.439 1.096 . . . . 0.0 108.853 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -120.97 140.39 51.95 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 123.334 0.654 . . . . 0.0 109.781 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.67 88.88 32.3 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.95 142.59 43.05 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.045 2.496 . . . . 0.0 111.143 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.2 p -161.47 166.81 26.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.184 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.3 p -154.02 170.54 20.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.907 0.483 . . . . 0.0 110.861 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -141.41 172.15 13.08 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.85 145.98 28.91 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.932 0.893 . . . . 0.0 110.076 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -151.75 156.23 34.3 Favored Pre-proline 0 N--CA 1.454 -0.273 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -172.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -67.18 156.87 64.39 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.305 2.67 . . . . 0.0 109.828 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.5 tt0 -81.51 0.25 38.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.907 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -67.85 138.64 56.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.84 4.24 90.41 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.213 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -150.96 166.27 31.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.216 1.508 . . . . 0.0 112.723 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.18 164.57 23.12 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -61.69 -11.31 11.29 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.5 m -102.57 -4.44 25.25 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.09 0.556 . . . . 0.0 112.109 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 93.9 m-20 -77.14 141.36 66.98 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 44.7 Cg_exo -59.67 163.18 13.73 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.74 2.96 . . . . 0.0 111.866 173.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.47 146.85 17.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-O 120.934 0.397 . . . . 0.0 110.581 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -148.91 167.5 25.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.74 1.216 . . . . 0.0 110.296 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.01 158.24 27.35 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -150.37 168.73 23.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -175.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -133.52 148.66 51.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.67 1.188 . . . . 0.0 111.302 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -144.32 148.02 34.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -74.16 138.17 43.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.79 133.72 56.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.379 -177.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.31 -2.19 88.23 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.926 -0.93 . . . . 0.0 114.038 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -83.21 -172.32 4.07 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.242 1.521 . . . . 0.0 107.501 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -124.3 97.7 39.62 Favored Pre-proline 0 C--N 1.34 0.163 0 C-N-CA 122.646 0.378 . . . . 0.0 111.142 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -56.47 -19.66 30.05 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.64 2.893 . . . . 0.0 113.459 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -79.63 -13.37 59.55 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -134.63 -14.82 2.16 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -98.18 151.57 20.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.215 0.606 . . . . 0.0 111.914 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.17 151.38 83.69 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.45 152.01 54.14 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.965 2.443 . . . . 0.0 110.171 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -80.03 -16.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.54 149.95 11.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.263 1.025 . . . . 0.0 109.432 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.6 t -161.12 164.23 30.8 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -113.72 -1.26 14.02 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 111.043 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -79.93 121.14 81.82 Favored Pre-proline 0 N--CA 1.451 -0.389 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.26 -14.76 25.59 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.076 2.517 . . . . 0.0 111.589 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -91.13 3.01 55.9 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -133.23 131.41 40.28 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.161 0.505 . . . . 0.0 111.467 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 pm0 -83.01 -178.31 7.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.879 1.271 . . . . 0.0 110.745 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 m -126.54 172.88 13.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 123.788 0.835 . . . . 0.0 110.458 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -58.88 148.3 30.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.956 0.502 . . . . 0.0 111.429 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.41 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -83.99 -7.65 59.35 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.271 -0.268 . . . . 0.0 111.236 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -119.34 -1.25 10.81 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 177.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 131.52 50.94 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.15 59.94 Favored Glycine 0 CA--C 1.531 1.031 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.425 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -122.66 -35.89 2.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 118.481 1.14 . . . . 0.0 111.807 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -87.19 139.81 30.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -156.96 148.23 22.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -100.07 144.76 28.72 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 mt -119.78 178.17 4.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.664 0.785 . . . . 0.0 110.055 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.48 -152.09 37.13 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -139.6 130.41 26.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.437 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -66.1 -28.71 44.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 122.935 0.494 . . . . 0.0 111.503 -177.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -79.89 -6.62 57.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.84 0.456 . . . . 0.0 111.065 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -105.63 11.96 31.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.964 0.906 . . . . 0.0 109.599 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 59.42 26.07 14.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.467 1.107 . . . . 0.0 113.15 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -82.54 147.56 28.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.25 11.2 6.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.519 0.728 . . . . 0.0 111.385 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.9 m -46.08 133.31 9.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.567 0.747 . . . . 0.0 112.02 -171.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -118.59 148.17 42.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.831 0.852 . . . . 0.0 109.201 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.5 t -138.65 136.68 36.15 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 122.303 -0.248 . . . . 0.0 110.43 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.62 124.81 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -102.25 140.88 35.94 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 46.53 56.77 6.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.67 149.82 13.55 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.53 158.96 38.53 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.714 0.806 . . . . 0.0 109.262 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -63.42 -10.71 18.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -78.72 -21.19 48.47 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.227 0.611 . . . . 0.0 111.119 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -73.36 -12.86 60.97 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.918 0.487 . . . . 0.0 111.938 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -63.92 129.73 41.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.83 -154.99 25.99 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 m -136.99 152.94 50.73 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.886 0.474 . . . . 0.0 109.8 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -147.52 165.23 30.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.0 156.5 46.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.315 0.646 . . . . 0.0 110.272 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -92.98 154.49 18.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -132.88 130.89 40.29 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 122.66 0.384 . . . . 0.0 110.423 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.1 tp -103.08 146.47 28.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.0 0.92 . . . . 0.0 110.377 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -150.15 119.91 7.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.4 ttm-85 -150.88 131.42 13.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.979 0.912 . . . . 0.0 108.585 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.34 -139.38 47.97 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -80.01 -12.64 59.69 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.481 -0.423 . . . . 0.0 111.139 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -86.96 144.2 27.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.511 0.724 . . . . 0.0 112.886 -175.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -144.85 150.12 36.56 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.796 1.238 . . . . 0.0 108.245 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.446 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 70.6 t-105 -152.25 154.0 34.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.478 0.18 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.4 t -123.57 129.71 51.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.045 0.538 . . . . 0.0 110.212 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.303 80.1 m-85 -84.43 63.07 7.61 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -174.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -142.9 160.17 40.84 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.264 0.626 . . . . 0.0 109.788 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m -65.87 153.07 42.98 Favored 'General case' 0 C--O 1.231 0.132 0 C-N-CA 122.669 0.387 . . . . 0.0 111.168 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -145.62 -166.38 2.43 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.463 0.705 . . . . 0.0 110.901 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.523 HD23 ' H ' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -47.27 -33.03 5.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.022 1.329 . . . . 0.0 112.992 -176.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -151.16 -15.84 0.21 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -75.08 149.37 39.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 173.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -144.86 135.28 24.31 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.615 0.245 . . . . 0.0 111.627 -173.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.9 t -159.79 158.44 31.14 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.383 0.673 . . . . 0.0 111.361 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -83.9 171.56 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.856 0.462 . . . . 0.0 110.985 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.33 170.61 15.75 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 124.154 0.981 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.5 131.4 46.43 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 t -111.25 142.58 43.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.98 139.06 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.8 m-85 -127.87 145.87 50.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.4 t -135.63 143.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -132.86 143.86 49.8 Favored 'General case' 0 CA--C 1.527 0.062 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.36 139.37 58.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.399 0.28 . . . . 0.0 110.83 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.23 123.26 21.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.3 t -145.03 -16.93 0.5 Allowed 'General case' 0 C--N 1.334 -0.08 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -160.68 138.45 9.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.74 -171.47 16.04 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 123.359 0.504 . . . . 0.0 113.534 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.0 t -159.04 148.34 18.7 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.411 1.084 . . . . 0.0 109.121 177.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.4 tt -78.66 -51.83 9.3 Favored 'General case' 0 C--O 1.227 -0.097 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.5 t 48.45 83.86 0.21 Allowed Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.65 166.05 30.77 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.737 2.958 . . . . 0.0 111.515 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 124.836 1.254 . . . . 0.0 111.517 177.24 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 tpp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.782 -0.081 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.18 154.57 37.65 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.93 9.26 62.64 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.6 t0 56.6 36.26 27.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.909 0.883 . . . . 0.0 112.464 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -155.29 -173.97 4.78 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.578 0.751 . . . . 0.0 109.677 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -138.57 166.15 25.06 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.254 0.622 . . . . 0.0 110.141 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.262 52.3 t80 -58.36 136.87 57.51 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 -173.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 79.05 7.45 88.45 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.586 -0.563 . . . . 0.0 112.756 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.82 142.49 45.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.273 1.037 . . . . 0.0 113.786 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.62 -15.35 36.54 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.712 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -84.93 118.46 24.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.667 1.234 . . . . 0.0 112.623 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -137.21 151.04 48.31 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 122.43 0.292 . . . . 0.0 110.582 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.42 147.91 29.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -128.33 126.37 40.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.002 0.521 . . . . 0.0 109.604 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.0 p -156.63 156.34 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 C-N-CA 123.49 0.716 . . . . 0.0 110.822 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.26 118.8 9.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -67.44 -20.84 65.55 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -174.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.1 tp -153.21 124.19 7.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.168 0.44 . . . . 0.0 110.34 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.05 147.45 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 139.63 39.65 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.4 155.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.036 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -84.55 157.76 21.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.82 142.81 48.03 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.44 7.49 65.13 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 119.056 -0.858 . . . . 0.0 114.971 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -146.66 176.92 9.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.008 1.404 . . . . 0.0 111.304 176.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -91.4 165.92 13.15 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -169.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.36 144.85 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 124.372 1.069 . . . . 0.0 109.281 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -108.13 142.46 38.29 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.457 0.703 . . . . 0.0 110.021 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 t -136.33 86.32 24.71 Favored Pre-proline 0 N--CA 1.455 -0.207 0 C-N-CA 123.864 0.866 . . . . 0.0 111.415 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.85 141.83 45.94 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.985 2.456 . . . . 0.0 111.033 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.8 p -161.39 166.87 26.71 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.339 0.256 . . . . 0.0 111.178 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.3 p -153.22 168.64 25.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.802 0.441 . . . . 0.0 111.289 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -138.4 168.97 18.63 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.9 t -147.9 147.29 29.57 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.527 0.731 . . . . 0.0 109.97 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -152.57 156.01 33.04 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.42 157.18 62.96 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.109 2.539 . . . . 0.0 110.27 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.5 tt0 -79.02 -1.11 34.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.321 0.648 . . . . 0.0 112.352 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.74 129.5 40.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.14 7.35 73.63 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.152 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.471 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -153.83 167.91 28.08 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.933 1.367 . . . . 0.0 112.472 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.33 168.85 18.14 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.12 -10.92 16.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -97.34 -14.12 21.48 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.026 0.53 . . . . 0.0 111.354 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.01 145.78 86.68 Favored Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.14 164.6 35.14 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.913 3.076 . . . . 0.0 110.534 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -142.47 144.67 24.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.35 168.16 24.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.387 1.075 . . . . 0.0 110.924 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.46 158.04 27.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -150.96 171.01 17.95 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -136.91 149.25 47.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.824 1.25 . . . . 0.0 111.474 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -146.1 153.4 40.65 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -76.0 146.4 39.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.18 134.26 55.75 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.95 -8.96 77.59 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.622 -0.543 . . . . 0.0 112.73 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -70.61 164.23 25.34 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -106.51 105.92 56.01 Favored Pre-proline 0 CA--C 1.53 0.192 0 C-N-CA 123.803 0.841 . . . . 0.0 108.995 175.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.14 -4.85 3.31 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.62 2.88 . . . . 0.0 113.589 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.259 9.3 p90 -120.08 -0.97 10.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -134.32 -10.08 2.54 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.818 0.447 . . . . 0.0 111.54 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.58 152.31 40.55 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.46 149.56 81.52 Favored Pre-proline 0 N--CA 1.451 -0.391 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.86 154.22 58.57 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.476 2.784 . . . . 0.0 110.145 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.3 m -83.42 -16.64 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.84 153.68 19.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.057 0.943 . . . . 0.0 109.502 175.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.77 164.28 29.01 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.579 0.352 . . . . 0.0 111.382 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -115.86 -2.91 12.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.589 0.755 . . . . 0.0 110.903 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -75.22 122.8 88.12 Favored Pre-proline 0 N--CA 1.454 -0.227 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -71.24 -18.16 30.55 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.352 2.702 . . . . 0.0 112.636 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -92.12 -17.64 24.67 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -87.8 151.57 22.77 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.118 0.567 . . . . 0.0 110.683 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -116.12 177.13 4.79 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.294 0.638 . . . . 0.0 109.651 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.7 172.06 15.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.44 148.87 26.63 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.42 0.688 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.85 -22.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -83.07 -12.72 56.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.001 0.364 . . . . 0.0 111.433 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -114.88 -1.8 13.07 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 129.78 42.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.24 2.63 63.2 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.176 -0.791 . . . . 0.0 113.121 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -122.12 -32.58 3.66 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.294 1.047 . . . . 0.0 112.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.7 m-85 -97.19 136.85 37.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 175.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.53 154.37 30.2 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 120.511 0.196 . . . . 0.0 110.807 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.0 mt -106.03 145.18 31.72 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.465 0.306 . . . . 0.0 110.531 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.5 mt -121.82 174.39 6.89 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.385 1.074 . . . . 0.0 110.356 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 171.53 42.16 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -86.56 123.39 31.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.4 pt -69.08 -21.16 25.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 122.556 0.342 . . . . 0.0 111.236 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -84.41 -12.61 54.09 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.059 0.391 . . . . 0.0 110.871 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.3 t -94.48 11.74 29.75 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.656 0.782 . . . . 0.0 109.891 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 59.47 28.42 17.8 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.135 0.974 . . . . 0.0 112.691 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -78.88 143.08 36.25 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 174.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.6 p -129.19 9.65 5.71 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 111.38 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.1 m -45.02 115.61 0.93 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.272 1.029 . . . . 0.0 111.705 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.5 tp -90.65 144.04 26.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.7 t -134.09 134.83 42.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 68.3 mt -115.1 140.05 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 -122.94 142.42 50.84 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.746 0.819 . . . . 0.0 109.919 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 47.05 55.41 8.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 149.92 13.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -133.83 164.77 26.5 Favored 'General case' 0 CA--C 1.523 -0.06 0 C-N-CA 123.703 0.801 . . . . 0.0 109.683 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.57 -19.64 50.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -75.9 -14.78 60.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.672 0.389 . . . . 0.0 112.019 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.19 -13.56 59.62 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.574 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.2 tttt -66.11 134.48 52.89 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.072 0.549 . . . . 0.0 109.636 177.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.66 -149.82 21.82 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.9 m -138.32 153.17 49.01 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.166 0.587 . . . . 0.0 110.273 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -144.93 165.1 29.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.07 0.462 . . . . 0.0 109.947 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -140.38 156.96 46.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.251 28.6 t80 -94.69 154.62 17.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -131.28 133.76 45.73 Favored 'General case' 0 N--CA 1.458 -0.041 0 C-N-CA 122.657 0.383 . . . . 0.0 110.252 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.5 tp -103.67 147.34 27.35 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.679 0.791 . . . . 0.0 110.574 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.8 117.34 7.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -148.97 122.1 8.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.77 -138.33 47.2 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -81.62 -3.97 54.85 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 122.636 -0.332 . . . . 0.0 111.477 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -96.99 143.94 27.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.131 0.573 . . . . 0.0 112.258 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.55 146.2 34.39 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.512 1.125 . . . . 0.0 108.045 175.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 69.8 t-105 -150.64 156.07 40.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.518 0.145 . . . . 0.0 111.057 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -125.13 131.67 53.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.078 0.551 . . . . 0.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.293 77.5 m-85 -86.81 60.89 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -173.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -141.26 155.72 45.97 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.5 m -65.91 154.19 39.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.456 0.303 . . . . 0.0 111.729 -176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -146.4 -166.28 2.44 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.76 0.824 . . . . 0.0 110.086 -175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 123' ' ' LEU . 2.3 pt? -47.56 -34.89 8.26 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.289 1.036 . . . . 0.0 113.737 -177.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -138.87 -21.69 0.97 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.942 0.497 . . . . 0.0 111.978 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -77.26 149.95 35.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -145.7 131.32 18.86 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-O 121.153 0.501 . . . . 0.0 111.076 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.1 t -158.12 146.51 18.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.127 0.971 . . . . 0.0 109.874 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.401 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 61.7 pttt -71.24 168.61 16.92 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.257 0.623 . . . . 0.0 111.045 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -133.01 170.24 15.67 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.216 1.006 . . . . 0.0 111.218 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.0 tp -100.61 126.36 47.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.5 t -105.22 142.91 34.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 68.1 t -128.06 141.37 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.574 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.1 m-85 -130.07 147.01 51.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.07 143.67 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 122.935 0.494 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -131.74 143.22 50.08 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.77 141.3 58.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.714 0.292 . . . . 0.0 110.554 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -71.57 114.42 9.63 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.43 0.292 . . . . 0.0 110.54 -177.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -150.09 11.42 0.72 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -133.11 15.08 4.21 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.587 0.755 . . . . 0.0 110.644 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 82.52 163.04 32.48 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -173.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 80.6 p -67.78 146.05 54.1 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.951 0.405 . . . . 0.0 111.165 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.2 tt -83.36 -47.29 11.61 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.819 0.448 . . . . 0.0 110.642 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 3.0 t 49.15 79.06 0.36 Allowed Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.3 162.86 40.37 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.302 2.668 . . . . 0.0 110.953 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.417 -1.277 . . . . 0.0 111.05 179.266 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.211 0.078 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -74.8 151.71 39.05 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.166 -0.334 . . . . 0.0 110.512 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.01 -0.16 39.76 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.649 -0.529 . . . . 0.0 112.944 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -76.06 -2.03 28.79 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -156.7 169.94 23.55 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.511 0.724 . . . . 0.0 110.104 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -134.82 166.12 23.7 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.5 0.72 . . . . 0.0 109.169 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -56.1 127.39 30.35 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -171.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 91.3 0.21 73.97 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.578 -0.568 . . . . 0.0 113.409 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -59.99 148.67 34.53 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 174.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.25 -15.16 9.35 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.789 0.709 . . . . 0.0 112.83 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.84 113.72 19.97 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -136.27 150.82 49.1 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.514 0.326 . . . . 0.0 110.549 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -148.46 147.45 29.15 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -128.5 126.61 40.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.3 p -157.72 156.07 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.485 0.714 . . . . 0.0 110.731 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -65.72 116.4 6.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -69.9 -16.01 63.16 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -152.44 123.32 7.46 Favored 'General case' 0 C--N 1.337 0.053 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.71 147.65 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.58 141.24 45.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 177.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -153.52 155.13 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 122.48 0.312 . . . . 0.0 111.195 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -87.15 155.96 19.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.911 -0.493 . . . . 0.0 109.856 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -67.85 143.06 55.92 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.993 -0.442 . . . . 0.0 110.988 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.62 6.05 68.34 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.706 -1.052 . . . . 0.0 115.071 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -146.13 173.15 12.45 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.533 1.666 . . . . 0.0 111.863 176.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -91.84 166.61 12.65 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -171.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.73 157.03 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.514 1.126 . . . . 0.0 109.076 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -120.1 140.51 50.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.697 0.799 . . . . 0.0 110.341 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.99 90.17 27.33 Favored Pre-proline 0 CA--C 1.53 0.173 0 C-N-CA 124.006 0.922 . . . . 0.0 111.175 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.67 143.42 46.42 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.207 2.605 . . . . 0.0 111.553 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.482 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.3 p -161.88 166.85 25.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.532 0.206 . . . . 0.0 111.307 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -152.78 168.85 24.35 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.856 0.462 . . . . 0.0 111.19 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -139.44 170.5 15.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -148.04 148.52 30.77 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 109.943 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -152.49 155.8 33.02 Favored Pre-proline 0 CA--C 1.53 0.197 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -173.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 156.78 64.77 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.993 2.462 . . . . 0.0 109.931 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.452 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.8 tt0 -81.22 -1.13 43.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.941 0.496 . . . . 0.0 112.017 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -67.12 137.79 56.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.81 4.18 90.39 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.379 -0.679 . . . . 0.0 114.382 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.6 p-90 -151.86 166.2 32.17 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 118.837 1.318 . . . . 0.0 112.086 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.64 163.64 24.63 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -64.07 -20.28 65.82 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -82.99 -15.79 49.79 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.806 0.442 . . . . 0.0 111.613 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -72.43 146.83 89.47 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -71.36 159.73 50.81 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.672 2.915 . . . . 0.0 109.983 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -140.53 146.42 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.767 0.427 . . . . 0.0 110.406 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -149.12 168.46 23.15 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.83 1.252 . . . . 0.0 110.194 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.81 158.43 27.66 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -149.97 174.94 12.15 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -136.33 149.05 48.21 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 124.224 1.009 . . . . 0.0 111.36 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.3 150.54 40.97 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.21 135.32 37.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 136.45 56.91 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.692 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.54 -5.83 83.74 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.043 -0.865 . . . . 0.0 113.641 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -84.59 -170.81 3.3 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.056 1.428 . . . . 0.0 107.649 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -135.19 110.95 10.81 Favored Pre-proline 0 CA--C 1.531 0.217 0 C-N-CA 122.914 0.485 . . . . 0.0 110.739 176.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.32 -19.7 36.23 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 124.209 3.273 . . . . 0.0 113.435 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.267 16.2 p90 -77.92 -5.84 52.38 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -134.34 -26.19 1.47 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.347 0.259 . . . . 0.0 111.221 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -101.88 152.06 21.35 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.72 152.26 82.9 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 122.645 0.378 . . . . 0.0 109.987 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.83 153.94 58.72 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 123.096 2.531 . . . . 0.0 110.581 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.87 -14.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.078 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.19 154.63 19.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.442 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 t -160.08 164.58 32.97 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -118.5 -2.99 10.94 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.689 0.796 . . . . 0.0 110.641 174.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -80.09 122.27 82.85 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 123.581 0.752 . . . . 0.0 109.144 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -72.25 -18.42 26.78 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.195 2.597 . . . . 0.0 111.729 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -85.67 -1.33 57.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.54 156.26 41.1 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.415 0.686 . . . . 0.0 112.028 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -111.82 -178.74 3.51 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.972 0.909 . . . . 0.0 110.663 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.31 173.59 13.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 123.816 0.847 . . . . 0.0 112.158 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -58.82 146.72 36.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.159 0.584 . . . . 0.0 110.958 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.7 65.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.889 -175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.8 -9.34 56.05 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 118.299 0.5 . . . . 0.0 111.366 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.439 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -113.97 -10.43 12.9 Favored 'General case' 0 C--O 1.227 -0.087 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -61.43 134.51 56.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.88 0.372 . . . . 0.0 110.04 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.38 2.89 85.24 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.818 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 mtm105 -131.45 -41.18 1.09 Allowed 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.395 1.098 . . . . 0.0 112.226 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.439 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.8 m-85 -84.68 137.08 33.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -155.65 149.21 25.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.52 0.2 . . . . 0.0 110.735 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.0 mt -102.0 144.52 30.5 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.858 -0.155 . . . . 0.0 110.669 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.6 mt -119.97 173.19 7.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.783 0.833 . . . . 0.0 110.599 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.9 174.74 43.04 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -90.33 123.55 34.18 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.7 pt -68.92 -22.39 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 122.568 0.347 . . . . 0.0 110.957 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -82.6 -13.13 57.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.128 0.422 . . . . 0.0 110.867 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.6 t -94.77 12.6 27.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.476 0.71 . . . . 0.0 109.83 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 60.19 27.33 16.81 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.123 0.969 . . . . 0.0 112.95 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -78.3 143.54 36.89 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.2 p -127.89 10.0 6.43 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.961 0.504 . . . . 0.0 111.32 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -44.73 133.18 6.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.759 0.824 . . . . 0.0 111.599 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -116.77 146.47 42.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.613 0.765 . . . . 0.0 109.051 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -135.01 134.45 40.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.42 133.48 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -113.27 143.96 43.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.146 0.579 . . . . 0.0 109.812 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 46.88 53.12 10.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.92 25.0 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.661 0.267 . . . . 0.0 111.675 -173.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -118.67 162.63 18.1 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.847 0.859 . . . . 0.0 109.232 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.23 -22.04 66.61 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.13 -0.356 . . . . 0.0 111.332 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -82.32 -13.86 56.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.732 0.413 . . . . 0.0 111.496 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.16 -10.83 60.3 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.594 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.4 tttt -63.89 134.27 54.84 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.985 0.914 . . . . 0.0 109.124 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.03 -150.01 21.56 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.4 m -141.96 156.4 45.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.044 0.538 . . . . 0.0 110.429 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -148.61 167.24 25.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -174.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -145.01 158.02 43.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 30.5 t80 -92.92 154.19 18.34 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -129.8 134.41 47.55 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.631 0.373 . . . . 0.0 110.242 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.0 tp -106.86 145.14 32.52 Favored 'General case' 0 C--O 1.227 -0.088 0 C-N-CA 124.0 0.92 . . . . 0.0 110.509 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -150.21 119.6 6.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.033 0.533 . . . . 0.0 109.823 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -153.75 131.51 11.56 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.01 -139.26 47.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 m -84.36 -0.16 51.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 117.032 0.416 . . . . 0.0 111.427 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -96.98 139.16 33.42 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.211 0.604 . . . . 0.0 112.036 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -142.79 142.62 31.92 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.732 1.213 . . . . 0.0 109.121 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.44 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.5 t-105 -152.97 154.96 36.05 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.3 p -128.61 132.78 48.17 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.958 0.503 . . . . 0.0 110.018 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.285 80.8 m-85 -82.79 63.81 7.09 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -140.66 161.04 38.7 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.397 0.679 . . . . 0.0 109.364 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.7 p -62.5 152.14 35.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.571 0.349 . . . . 0.0 111.554 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -147.18 -167.35 2.75 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.304 1.042 . . . . 0.0 110.633 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.828 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.3 mm? -60.39 -34.99 74.7 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.691 0.796 . . . . 0.0 112.391 -173.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -136.25 5.45 3.0 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.13 0.572 . . . . 0.0 110.816 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.282 17.7 t80 -124.4 147.5 48.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -174.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -146.33 143.13 28.91 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.675 0.274 . . . . 0.0 110.69 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.1 t -157.56 162.25 38.78 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.235 0.614 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.96 170.0 17.34 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.046 0.539 . . . . 0.0 110.996 -179.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -140.12 167.28 22.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.762 0.825 . . . . 0.0 110.199 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.3 tp -100.48 127.15 46.91 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.4 t -105.96 142.53 35.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.0 t -126.0 136.32 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.763 0.425 . . . . 0.0 109.964 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.594 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 30.8 m-85 -125.0 147.35 48.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.1 t -135.98 143.36 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.68 146.06 49.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.4 140.31 58.86 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.082 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 138' ' ' THR . 1.1 tm? -71.54 123.97 23.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.404 ' N ' HD13 ' A' ' 137' ' ' LEU . 11.3 t -147.74 -25.53 0.36 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -153.54 138.49 17.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.528 1.131 . . . . 0.0 109.537 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 62.51 -174.08 8.33 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-O 121.148 0.304 . . . . 0.0 113.407 177.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 85.3 p -160.03 154.47 23.8 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.023 0.929 . . . . 0.0 108.938 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 tt -79.62 -52.52 7.88 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 122.328 -0.232 . . . . 0.0 111.257 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.3 t 59.81 127.75 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -70.26 154.54 65.68 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.781 2.321 . . . . 0.0 110.603 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 117.149 -1.405 . . . . 0.0 110.598 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pm0 -66.11 152.95 43.62 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.784 0.433 . . . . 0.0 110.598 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.54 1.19 88.33 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 123.416 0.532 . . . . 0.0 112.788 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -68.29 -6.38 23.64 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -159.28 168.28 26.83 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 123.448 0.699 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -103.15 163.8 12.01 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 59.6 t80 -60.55 133.55 56.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 115.859 1.799 . . . . 0.0 115.859 -173.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 78.61 7.03 88.28 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 119.784 -0.453 . . . . 0.0 113.344 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.0 147.24 53.83 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.359 1.079 . . . . 0.0 111.155 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 -16.44 18.53 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.102 0.858 . . . . 0.0 113.048 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.65 116.1 21.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.314 1.057 . . . . 0.0 112.438 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.8 mt -137.14 151.99 49.45 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 122.885 0.474 . . . . 0.0 110.472 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -148.53 147.84 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -129.94 127.37 39.95 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.3 p -157.69 156.26 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.163 0.585 . . . . 0.0 110.517 -176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.45 118.6 9.65 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -70.69 -17.53 62.84 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -174.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -152.24 123.07 7.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.097 0.408 . . . . 0.0 110.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.74 148.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 124.482 1.113 . . . . 0.0 108.183 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.87 140.83 42.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 177.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -152.65 153.77 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 122.852 0.461 . . . . 0.0 110.869 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -86.68 156.22 20.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.0 140.27 55.01 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.139 -0.35 . . . . 0.0 110.409 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.02 6.09 65.44 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 118.626 -1.096 . . . . 0.0 114.754 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.05 174.58 10.92 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.294 1.547 . . . . 0.0 111.498 176.172 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -91.96 167.77 11.88 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.87 154.89 6.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 124.642 1.177 . . . . 0.0 109.404 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -118.78 141.12 48.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.391 0.677 . . . . 0.0 110.06 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.8 t -134.59 88.78 28.01 Favored Pre-proline 0 N--CA 1.458 -0.074 0 C-N-CA 123.731 0.812 . . . . 0.0 110.923 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.6 141.14 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 122.962 2.441 . . . . 0.0 111.302 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HB3' HG23 ' A' ' 15' ' ' VAL . 17.0 p -161.63 166.49 26.75 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.767 0.318 . . . . 0.0 111.35 178.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.5 p -153.64 168.2 27.02 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -137.98 170.26 16.36 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.9 t -147.61 149.79 33.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.795 0.838 . . . . 0.0 110.059 177.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -152.84 155.96 32.62 Favored Pre-proline 0 C--O 1.234 0.239 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.78 159.92 51.75 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.24 2.626 . . . . 0.0 109.986 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 51.5 tt0 -77.62 -0.82 28.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.899 0.48 . . . . 0.0 112.036 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.58 126.24 28.7 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.41 68.39 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.097 -0.835 . . . . 0.0 114.323 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.5 p-90 -151.3 167.55 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.951 1.376 . . . . 0.0 112.532 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.29 165.85 20.61 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.89 -7.54 5.33 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 115.219 1.562 . . . . 0.0 115.219 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -109.72 -3.84 16.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.76 0.424 . . . . 0.0 111.934 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.0 146.01 84.41 Favored Pre-proline 0 N--CA 1.454 -0.275 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.07 159.95 48.74 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.705 2.937 . . . . 0.0 110.04 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.83 141.62 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.67 0.388 . . . . 0.0 110.311 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -149.25 170.54 18.24 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 124.524 1.13 . . . . 0.0 110.493 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.71 162.84 28.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -151.68 175.41 12.41 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -174.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -136.72 150.53 48.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.322 1.049 . . . . 0.0 111.812 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.84 153.05 41.2 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -75.19 136.72 41.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.08 134.43 55.84 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.044 0.45 . . . . 0.0 110.736 -175.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.75 -4.8 85.98 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-O 119.003 -0.887 . . . . 0.0 114.055 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -84.32 -178.14 6.84 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.172 1.486 . . . . 0.0 108.439 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -110.64 108.48 58.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.45 -12.69 22.77 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.648 2.899 . . . . 0.0 113.19 -171.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.294 15.5 p90 -96.79 1.79 51.16 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -134.38 12.69 3.83 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -153.13 162.23 41.55 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.41 151.21 85.31 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.269 0.628 . . . . 0.0 111.151 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.96 158.02 46.52 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.444 2.763 . . . . 0.0 110.456 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -84.79 -15.16 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.98 155.29 23.08 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.098 0.959 . . . . 0.0 109.617 175.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -161.17 165.96 28.63 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-O 120.85 0.357 . . . . 0.0 111.624 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -121.27 0.33 10.05 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.602 0.761 . . . . 0.0 110.807 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -75.65 126.47 87.29 Favored Pre-proline 0 N--CA 1.451 -0.417 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.91 -18.14 41.21 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.548 2.832 . . . . 0.0 112.876 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.56 -15.23 18.7 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -85.48 152.36 23.25 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.046 0.538 . . . . 0.0 110.998 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -116.12 176.98 4.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.338 0.655 . . . . 0.0 109.54 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.08 172.45 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -58.52 146.82 34.18 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.072 0.549 . . . . 0.0 111.079 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.24 65.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.586 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -82.1 -8.4 59.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.94 0.337 . . . . 0.0 110.993 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.4 p -123.59 -0.65 8.61 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -61.14 128.91 38.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.31 2.58 59.58 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 119.444 -0.642 . . . . 0.0 113.342 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -121.63 -29.64 4.34 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.506 1.153 . . . . 0.0 112.122 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -97.75 138.63 34.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -156.8 153.47 28.36 Favored 'General case' 0 N--CA 1.458 -0.067 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -108.41 145.07 35.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.483 0.313 . . . . 0.0 110.256 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.51 168.84 10.3 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.065 0.946 . . . . 0.0 110.301 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.53 174.57 46.41 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.35 138.7 31.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.57 -28.32 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 C-N-CA 122.563 0.345 . . . . 0.0 110.985 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -83.22 -13.2 55.83 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.842 0.457 . . . . 0.0 111.332 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.4 t -91.76 7.56 41.17 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.214 0.605 . . . . 0.0 110.556 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 57.91 27.75 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.044 0.937 . . . . 0.0 112.453 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -78.52 142.78 37.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -127.87 8.38 6.25 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.083 0.553 . . . . 0.0 111.523 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -44.43 116.99 1.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.172 0.989 . . . . 0.0 111.653 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.3 tp -95.04 145.99 24.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.358 0.663 . . . . 0.0 109.598 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -134.87 133.52 39.77 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.87 132.28 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -113.76 140.93 47.87 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.767 0.827 . . . . 0.0 109.873 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 47.37 56.19 7.27 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.09 149.93 18.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -135.09 163.57 29.61 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.796 0.838 . . . . 0.0 109.608 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.57 -21.46 60.35 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -80.19 -12.77 59.61 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -75.93 -12.04 60.07 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.13 -0.356 . . . . 0.0 110.901 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.598 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -64.99 132.29 48.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.142 0.577 . . . . 0.0 109.481 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.87 -149.58 21.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.3 m -141.29 154.38 45.7 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.956 0.502 . . . . 0.0 110.936 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -147.77 167.41 24.77 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -144.52 160.23 41.46 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -94.82 154.41 17.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.96 135.06 47.88 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.764 0.425 . . . . 0.0 110.584 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.99 145.37 31.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.418 1.087 . . . . 0.0 110.37 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -150.59 120.13 6.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -153.6 130.33 10.82 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.87 -139.86 45.15 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.5 m -81.5 -4.71 56.7 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.356 -0.496 . . . . 0.0 111.55 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.0 ttp -88.89 139.02 30.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.705 0.802 . . . . 0.0 112.22 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 146.46 34.06 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 173.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.5 t-105 -156.27 151.16 26.15 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.805 0.275 . . . . 0.0 110.821 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.5 m -121.5 129.25 52.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.086 0.554 . . . . 0.0 110.022 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.284 76.4 m-85 -82.73 64.94 7.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -143.16 159.07 42.98 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.591 0.356 . . . . 0.0 110.128 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.4 p -63.85 153.29 37.2 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.121 0.486 . . . . 0.0 111.92 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -143.9 -165.89 2.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.661 1.184 . . . . 0.0 110.366 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.842 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.9 mm? -52.71 -26.19 13.29 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.632 1.173 . . . . 0.0 112.273 -174.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -154.2 -25.95 0.13 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.32 0.648 . . . . 0.0 111.982 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -74.73 148.5 40.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 173.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -146.35 154.03 41.2 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.136 0.493 . . . . 0.0 111.153 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -164.63 153.18 12.57 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.54 169.57 13.92 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.152 0.501 . . . . 0.0 110.888 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -137.0 166.52 23.47 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.889 0.875 . . . . 0.0 110.739 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.59 126.34 47.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.453 0.701 . . . . 0.0 109.401 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.7 t -105.25 143.14 33.84 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -127.99 140.59 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 122.852 0.461 . . . . 0.0 109.923 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.598 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.2 m-85 -129.05 148.29 50.99 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 123.004 0.522 . . . . 0.0 111.759 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -135.46 143.99 46.19 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 105.486 -2.042 . . . . 0.0 105.486 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.18 139.67 58.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.12 123.35 21.94 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -145.23 -20.57 0.49 Allowed 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -161.53 141.71 10.62 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.539 0.736 . . . . 0.0 109.451 175.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.9 -177.34 8.38 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.172 0.415 . . . . 0.0 113.05 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.1 p -162.32 155.96 20.85 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 124.199 1.0 . . . . 0.0 109.474 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 142' ' ' LEU . 8.5 tt -79.07 -59.25 2.85 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.219 -0.301 . . . . 0.0 111.26 -178.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 49.81 99.95 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.74 143.28 70.85 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.712 2.941 . . . . 0.0 112.102 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 117.279 -1.343 . . . . 0.0 110.29 -178.841 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.519 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 42.2 tp10 -67.23 144.72 55.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.504 0.322 . . . . 0.0 110.624 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.13 -8.3 58.35 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.939 -0.367 . . . . 0.0 113.172 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.519 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 72.2 m-20 -74.06 -3.89 32.19 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -155.11 -178.63 7.39 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 123.227 0.611 . . . . 0.0 110.053 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -145.68 166.05 26.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.662 0.785 . . . . 0.0 109.503 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.275 45.9 t80 -55.18 139.26 42.59 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -173.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 78.73 4.78 88.25 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.19 -178.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.27 143.56 52.46 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.241 1.021 . . . . 0.0 113.188 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.67 -15.03 54.07 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 123.839 0.733 . . . . 0.0 112.725 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -86.33 119.77 26.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.034 0.917 . . . . 0.0 112.479 174.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -136.08 158.6 44.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.667 0.27 . . . . 0.0 110.678 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -144.58 147.49 33.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.699 0.8 . . . . 0.0 109.687 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -131.64 114.08 14.37 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -154.16 153.83 7.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 C-N-CA 123.018 0.527 . . . . 0.0 110.663 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -66.7 118.65 10.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.92 -18.14 64.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -153.52 125.56 7.89 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.328 0.513 . . . . 0.0 110.14 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.39 150.69 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.58 142.89 43.39 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 177.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.24 155.74 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.916 0.486 . . . . 0.0 110.969 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.427 ' HB2' HD11 ' A' ' 25' ' ' LEU . 36.7 mt-30 -90.07 154.81 19.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.21 142.86 56.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.195 -0.315 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.24 3.85 72.07 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.911 -0.938 . . . . 0.0 114.946 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.6 176.07 9.89 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.259 1.53 . . . . 0.0 111.878 176.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.9 m -91.58 170.11 10.2 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -169.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.52 154.74 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 124.59 1.156 . . . . 0.0 108.936 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -119.91 139.44 52.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.225 0.61 . . . . 0.0 109.729 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.7 t -134.08 89.79 27.89 Favored Pre-proline 0 N--CA 1.455 -0.188 0 C-N-CA 124.004 0.922 . . . . 0.0 111.228 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.8 143.59 46.24 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.148 2.565 . . . . 0.0 110.822 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 p -161.1 167.0 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 111.005 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.0 t -152.59 169.47 22.59 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.387 0.675 . . . . 0.0 110.404 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -140.46 169.97 16.67 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 t -146.3 149.5 33.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -153.52 156.39 32.31 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -172.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.32 157.78 60.37 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.357 2.705 . . . . 0.0 109.805 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 54.1 tt0 -82.19 -2.31 51.87 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -70.05 133.62 47.4 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.67 2.12 79.43 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.242 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.429 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -148.88 163.95 35.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.15 1.475 . . . . 0.0 112.461 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.72 166.58 17.88 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 176.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -64.53 -19.58 65.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -88.36 -9.9 51.16 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.779 0.432 . . . . 0.0 112.129 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -76.58 147.74 78.89 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.59 160.62 47.8 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.776 2.984 . . . . 0.0 110.267 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.74 146.08 21.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -147.79 164.66 32.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.571 1.149 . . . . 0.0 109.891 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.84 155.15 24.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -148.28 169.96 18.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -137.47 147.09 45.03 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.458 1.103 . . . . 0.0 111.365 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -144.57 151.83 39.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.82 0.448 . . . . 0.0 111.662 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -70.86 145.64 50.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.45 136.44 53.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.096 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.21 -7.58 81.76 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-O 119.4 -0.667 . . . . 0.0 112.749 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -69.55 164.63 22.79 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -113.81 97.52 44.75 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -57.23 -23.62 54.85 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 123.746 2.964 . . . . 0.0 114.449 -171.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.281 15.1 p90 -87.44 -2.29 58.52 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 116.898 2.184 . . . . 0.0 116.898 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -134.46 -26.67 1.41 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.495 0.318 . . . . 0.0 111.536 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -89.22 158.39 17.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.399 0.68 . . . . 0.0 111.855 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.89 145.14 49.27 Favored Pre-proline 0 C--O 1.233 0.23 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.09 155.41 52.35 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.013 2.475 . . . . 0.0 110.019 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -82.89 -16.97 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 122.247 -0.283 . . . . 0.0 111.395 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.55 152.42 12.06 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.301 1.04 . . . . 0.0 108.85 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.5 t -161.73 154.91 20.86 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.847 -0.533 . . . . 0.0 112.374 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -92.02 -10.86 37.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.635 0.774 . . . . 0.0 111.023 173.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -71.96 121.94 85.94 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.14 -18.01 27.51 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.476 2.784 . . . . 0.0 112.479 -176.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -99.2 -14.76 19.17 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -92.46 134.98 34.44 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.647 0.379 . . . . 0.0 110.274 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -84.27 -179.67 7.25 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.922 0.489 . . . . 0.0 110.25 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.73 173.15 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 123.316 0.647 . . . . 0.0 111.803 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -58.64 144.3 43.61 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.564 0.346 . . . . 0.0 111.002 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.04 66.26 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.16 -9.12 58.82 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.019 0.372 . . . . 0.0 111.403 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -115.23 0.38 13.5 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.16 123.58 17.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.42 -4.71 32.72 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.088 -0.84 . . . . 0.0 113.82 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mtm105 -107.67 -30.17 8.72 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.786 1.293 . . . . 0.0 111.83 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.4 m-85 -93.54 142.35 27.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 174.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -156.66 147.42 21.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 mt -102.18 144.4 30.77 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.8 mt -118.23 176.53 5.18 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.853 0.861 . . . . 0.0 110.233 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.23 -150.11 33.22 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -140.88 130.29 23.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -65.45 -29.73 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 C-N-CA 122.936 0.495 . . . . 0.0 111.496 -177.097 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -79.92 -4.07 50.83 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.794 0.438 . . . . 0.0 110.645 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -109.69 13.84 23.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.284 1.034 . . . . 0.0 110.02 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 59.09 21.64 9.63 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.49 1.116 . . . . 0.0 113.537 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -82.95 141.99 31.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.01 11.52 8.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.044 0.537 . . . . 0.0 111.883 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.5 m -45.19 134.43 6.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.491 0.716 . . . . 0.0 112.174 -171.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.6 tp -118.1 149.02 41.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.027 0.931 . . . . 0.0 109.072 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.0 t -139.78 135.41 33.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 122.501 0.32 . . . . 0.0 110.4 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.19 132.27 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -112.7 141.82 46.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.35 0.66 . . . . 0.0 109.589 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 48.03 55.02 9.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.65 150.07 16.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 112.004 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -135.0 164.01 28.59 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.238 1.015 . . . . 0.0 109.553 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.18 -20.19 57.5 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.9 -17.96 58.61 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.018 0.372 . . . . 0.0 111.886 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -72.72 -13.11 61.26 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.1 tttt -65.88 128.88 37.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 109.7 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.82 -151.14 22.68 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.5 m -140.59 153.9 46.28 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 122.913 0.485 . . . . 0.0 110.848 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -148.34 165.95 29.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.19 156.93 45.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.033 0.533 . . . . 0.0 111.071 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -88.0 154.72 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -136.69 132.88 35.51 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.056 0.389 . . . . 0.0 110.824 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.3 tp -104.06 146.36 28.83 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.168 0.987 . . . . 0.0 110.165 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -150.13 121.27 7.76 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -153.89 131.19 11.21 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 123.631 0.772 . . . . 0.0 109.244 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.1 -138.89 49.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.6 p -84.78 -9.08 58.52 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 117.445 0.623 . . . . 0.0 110.654 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 39.7 ttp -86.11 138.68 31.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.853 0.861 . . . . 0.0 111.637 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -154.51 149.73 27.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.4 t-105 -154.76 139.04 16.64 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.394 0.14 . . . . 0.0 111.335 -174.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.7 p -101.13 130.11 47.13 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.008 0.523 . . . . 0.0 109.684 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.271 79.3 m-85 -82.87 61.28 5.83 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -137.99 160.29 39.74 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.019 0.528 . . . . 0.0 110.17 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t -64.93 152.65 42.64 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.977 0.511 . . . . 0.0 111.318 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -145.95 -166.1 2.37 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.03 0.932 . . . . 0.0 110.558 -174.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -46.0 -33.03 3.1 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.706 1.202 . . . . 0.0 113.433 -176.366 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -151.45 -21.28 0.2 Allowed 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 122.821 0.448 . . . . 0.0 112.097 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -68.76 146.8 52.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 172.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -145.98 139.03 25.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 117.776 0.262 . . . . 0.0 110.746 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.2 t -158.74 156.88 30.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.463 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -74.98 168.45 19.94 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.198 0.599 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -136.77 169.7 17.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.019 0.927 . . . . 0.0 110.319 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.19 120.45 39.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 142.8 30.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.08 139.92 50.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 29.8 m-85 -127.27 148.04 50.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.3 t -135.05 143.52 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 122.741 0.416 . . . . 0.0 111.753 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -135.77 144.93 46.07 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 140.91 58.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 138' ' ' THR . 1.0 OUTLIER -70.06 125.1 25.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.433 ' N ' HD13 ' A' ' 137' ' ' LEU . 7.1 t -146.61 -19.85 0.42 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -162.39 142.17 9.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.599 0.76 . . . . 0.0 109.63 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.98 -174.59 11.87 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.131 0.396 . . . . 0.0 113.501 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 80.4 p -159.61 155.51 26.35 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.302 1.041 . . . . 0.0 109.218 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.7 tt -81.79 -52.76 6.79 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.515 -0.279 . . . . 0.0 111.52 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 3.0 t 48.32 86.62 0.14 Allowed Pre-proline 0 N--CA 1.466 0.334 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.53 164.3 36.02 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.72 2.947 . . . . 0.0 111.585 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.887 -1.53 . . . . 0.0 111.811 177.472 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 ttp . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 120.751 0.31 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -65.31 145.42 56.23 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.897 0.479 . . . . 0.0 111.03 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.84 4.26 61.66 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 119.933 -0.371 . . . . 0.0 112.479 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.266 68.6 m-20 60.36 22.36 11.89 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -153.6 177.26 11.14 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.401 0.681 . . . . 0.0 110.22 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -124.23 166.05 16.54 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.85 0.46 . . . . 0.0 110.241 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 50.1 t80 -58.79 138.59 57.11 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 116.35 1.982 . . . . 0.0 116.35 -174.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 78.8 7.75 88.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 122.108 -0.37 . . . . 0.0 112.826 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.51 140.64 53.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.37 -14.29 46.43 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 123.613 0.625 . . . . 0.0 113.062 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -85.0 119.0 24.91 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.973 0.887 . . . . 0.0 113.146 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -138.85 151.02 46.65 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 118.054 0.388 . . . . 0.0 110.476 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.44 148.46 30.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.851 0.46 . . . . 0.0 109.767 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -128.76 128.01 43.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.158 0.583 . . . . 0.0 109.636 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -156.45 157.54 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 110.743 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.57 120.35 12.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mp0 -69.4 -21.82 63.74 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -153.3 125.1 7.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.024 0.375 . . . . 0.0 110.05 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 t -119.13 148.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.28 138.84 40.49 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.69 155.69 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 122.735 0.414 . . . . 0.0 111.615 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -89.45 156.96 18.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -68.46 145.44 54.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.151 -0.343 . . . . 0.0 110.929 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.59 5.89 68.61 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.082 -0.843 . . . . 0.0 114.758 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.6 171.69 14.34 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.114 1.457 . . . . 0.0 111.305 176.225 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.1 m -92.05 165.92 12.94 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -170.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.16 147.01 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 124.031 0.932 . . . . 0.0 109.681 175.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -109.56 140.48 43.31 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.791 0.836 . . . . 0.0 109.641 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -135.33 90.4 20.83 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 123.865 0.866 . . . . 0.0 111.571 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -66.26 148.86 85.26 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.176 2.584 . . . . 0.0 112.001 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 43.1 t -157.78 150.82 23.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.602 0.761 . . . . 0.0 110.927 -175.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -150.83 162.6 40.44 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.09 0.556 . . . . 0.0 110.858 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -139.68 170.5 15.78 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.4 t -147.55 145.63 29.14 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.79 0.836 . . . . 0.0 109.96 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -154.24 155.68 31.13 Favored Pre-proline 0 CA--C 1.529 0.146 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.58 155.69 67.62 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.108 2.539 . . . . 0.0 110.205 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.0 tt0 -80.94 -1.93 45.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.292 0.637 . . . . 0.0 112.26 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.5 141.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.54 90.59 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.849 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.1 p-90 -151.22 166.14 31.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.938 1.369 . . . . 0.0 112.387 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.15 166.76 21.08 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.51 -11.98 19.57 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -98.26 -13.31 20.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.101 0.561 . . . . 0.0 111.76 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -72.08 146.26 89.73 Favored Pre-proline 0 N--CA 1.454 -0.252 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.41 161.88 44.15 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.75 2.967 . . . . 0.0 109.736 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.7 p -145.33 146.56 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -149.2 166.4 28.99 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.638 1.175 . . . . 0.0 110.253 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.66 158.49 27.68 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -150.79 168.51 24.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -133.41 146.96 51.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.63 1.172 . . . . 0.0 111.21 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -142.38 149.58 39.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -77.54 136.83 38.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.29 133.54 55.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.287 -176.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.43 -4.67 85.22 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 118.782 -1.01 . . . . 0.0 113.683 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -83.3 -173.13 4.53 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.507 1.653 . . . . 0.0 107.741 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -118.11 102.55 50.72 Favored Pre-proline 0 C--N 1.341 0.218 0 C-N-CA 122.811 0.444 . . . . 0.0 110.287 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.88 -13.33 38.16 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.911 2.407 . . . . 0.0 111.908 -174.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -82.98 -15.17 52.29 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -134.52 -17.33 2.01 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -92.02 158.55 16.17 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 122.746 0.419 . . . . 0.0 111.801 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.3 145.58 68.77 Favored Pre-proline 0 N--CA 1.45 -0.445 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -71.61 156.28 57.91 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.068 2.512 . . . . 0.0 109.788 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -80.96 -17.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.8 151.32 14.42 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.849 0.86 . . . . 0.0 109.184 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.0 t -161.58 165.75 27.97 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.576 0.351 . . . . 0.0 111.574 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.93 -1.59 12.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.571 0.748 . . . . 0.0 111.004 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -77.79 122.09 85.14 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.34 -19.09 38.58 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.378 2.719 . . . . 0.0 112.239 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -90.89 -11.02 40.45 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -105.31 132.59 51.31 Favored 'General case' 0 N--CA 1.458 -0.069 0 C-N-CA 122.942 0.497 . . . . 0.0 110.345 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -87.29 -178.84 6.29 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.749 0.419 . . . . 0.0 110.001 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.69 171.88 16.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.089 0.556 . . . . 0.0 112.496 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -58.83 144.86 42.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.904 0.482 . . . . 0.0 110.798 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.1 -23.79 65.87 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -84.7 -11.43 55.89 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.112 0.414 . . . . 0.0 111.083 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.446 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -113.34 -0.65 14.46 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.65 130.51 46.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.41 2.88 60.62 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.358 -0.69 . . . . 0.0 113.42 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -121.79 -35.41 3.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.366 1.083 . . . . 0.0 112.139 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.446 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.84 137.85 31.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 175.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -156.96 150.97 24.84 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.842 0.292 . . . . 0.0 110.68 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.4 mt -101.07 144.88 29.45 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -118.41 168.12 10.94 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.398 0.679 . . . . 0.0 110.089 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.96 175.14 41.47 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -95.53 134.14 38.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.14 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-O 120.744 0.306 . . . . 0.0 110.465 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -78.6 -13.05 60.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.359 0.664 . . . . 0.0 110.512 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -96.84 10.85 37.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.735 0.814 . . . . 0.0 109.741 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 60.53 25.8 15.46 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.544 1.137 . . . . 0.0 113.099 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -79.05 147.23 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 2.1 p -134.58 15.12 3.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.123 0.969 . . . . 0.0 111.299 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.3 m -52.54 133.02 36.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.321 0.649 . . . . 0.0 111.0 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -111.16 146.11 37.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.975 0.91 . . . . 0.0 108.745 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -136.55 137.11 39.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.6 mt -116.97 124.85 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -101.24 138.26 38.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.48 0.712 . . . . 0.0 109.747 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 46.07 59.45 3.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.8 150.61 12.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 120.959 0.409 . . . . 0.0 111.9 -174.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -137.0 166.37 23.82 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.072 0.949 . . . . 0.0 109.76 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.02 -17.76 54.02 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -75.38 -15.14 60.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -81.0 -12.85 59.29 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.553 0.341 . . . . 0.0 111.54 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.553 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 87.1 tttt -67.24 134.81 52.35 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.014 0.526 . . . . 0.0 109.672 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.47 -153.54 25.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.3 m -135.92 152.05 50.6 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.082 0.553 . . . . 0.0 110.456 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -145.64 165.99 27.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.65 157.18 44.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 23.4 t80 -96.84 154.62 17.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -133.14 133.14 42.47 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 122.755 0.422 . . . . 0.0 110.575 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.5 tp -105.67 146.38 29.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.049 0.94 . . . . 0.0 110.433 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -150.87 119.14 6.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.988 0.515 . . . . 0.0 109.64 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -153.1 132.42 12.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.74 -141.6 44.55 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -81.82 -3.89 55.09 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.447 -0.443 . . . . 0.0 111.432 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -92.45 142.36 27.51 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.4 0.619 . . . . 0.0 112.058 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.53 145.92 32.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.777 1.231 . . . . 0.0 107.868 174.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.3 t-105 -152.99 152.63 31.62 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-N 117.61 0.187 . . . . 0.0 110.961 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 t -120.61 130.16 54.05 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 123.028 0.531 . . . . 0.0 109.92 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.263 79.1 m-85 -87.26 66.64 9.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -144.01 157.8 44.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.4 p -64.23 152.18 41.57 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.916 0.388 . . . . 0.0 111.544 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -145.14 -166.42 2.42 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.021 0.928 . . . . 0.0 110.209 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.821 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.8 mm? -56.02 -28.14 56.09 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.759 0.824 . . . . 0.0 112.365 -174.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -140.84 -29.5 0.67 Allowed 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.232 0.613 . . . . 0.0 110.937 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -75.68 147.0 39.78 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -146.1 140.07 26.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.647 0.261 . . . . 0.0 111.115 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.4 t -160.43 166.05 29.95 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.728 0.811 . . . . 0.0 110.229 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -75.39 164.6 26.23 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.247 0.546 . . . . 0.0 112.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -140.4 159.09 42.96 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.579 1.152 . . . . 0.0 109.592 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.5 tp -100.7 128.72 46.64 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 t -108.17 142.84 37.79 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.63 141.72 45.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 35.0 m-85 -129.94 145.8 51.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 19.0 t -136.63 143.21 35.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 122.775 0.43 . . . . 0.0 111.908 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.6 m -134.87 146.33 49.12 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.99 141.38 58.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.522 0.201 . . . . 0.0 110.761 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.31 122.93 18.26 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.703 0.287 . . . . 0.0 110.439 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -148.23 11.21 0.91 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.021 0.928 . . . . 0.0 112.977 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -155.1 -179.12 7.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -60.91 154.9 35.32 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 79.5 p -66.97 151.83 46.9 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 122.51 -0.406 . . . . 0.0 111.406 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 tt -78.08 -44.63 25.7 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.302 -178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.4 t 59.81 122.7 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -70.83 163.58 38.62 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.197 2.598 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.001 178.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 ttp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -71.05 158.17 36.95 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.11 -2.87 54.75 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.541 0.591 . . . . 0.0 113.405 -176.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -72.27 -0.13 11.4 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -156.09 -175.34 5.38 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.562 0.745 . . . . 0.0 110.283 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -139.16 166.06 25.52 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.806 0.842 . . . . 0.0 109.398 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.276 53.1 t80 -55.92 139.8 44.91 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -173.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 80.62 3.27 90.21 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.726 -0.486 . . . . 0.0 113.203 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.75 140.93 46.03 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.19 -15.5 44.13 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.245 -0.753 . . . . 0.0 112.864 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -84.7 117.24 23.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.583 1.191 . . . . 0.0 112.637 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt -137.22 151.79 49.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.884 0.311 . . . . 0.0 110.662 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -148.62 146.98 28.45 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -130.76 128.31 40.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 31' ' ' CYS . 13.8 p -157.46 157.64 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.78 0.832 . . . . 0.0 110.101 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -65.79 118.05 9.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.89 -17.55 63.35 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.46 124.97 7.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.106 0.412 . . . . 0.0 110.091 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -120.91 148.68 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.2 1.0 . . . . 0.0 108.431 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.91 141.28 42.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.75 155.99 5.75 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 C-N-CA 122.85 0.46 . . . . 0.0 111.541 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HB2' HD11 ' A' ' 25' ' ' LEU . 33.6 mt-30 -87.69 157.94 18.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.37 175.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -71.9 140.66 49.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.212 -0.305 . . . . 0.0 110.504 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.87 4.46 65.17 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 118.851 -0.971 . . . . 0.0 114.642 175.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.69 174.81 10.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.029 1.414 . . . . 0.0 111.633 177.158 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -91.79 169.62 10.55 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.07 155.35 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 C-N-CA 124.784 1.234 . . . . 0.0 109.302 173.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -120.39 141.38 50.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.443 0.697 . . . . 0.0 110.239 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 t -134.71 88.53 28.08 Favored Pre-proline 0 CA--C 1.528 0.105 0 C-N-CA 123.651 0.78 . . . . 0.0 111.191 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -71.2 142.27 41.31 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.1 2.533 . . . . 0.0 111.319 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.9 p -161.96 166.89 25.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.36 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.8 p -153.79 170.55 20.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.902 0.481 . . . . 0.0 111.331 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -142.34 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -146.71 148.83 32.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.659 0.783 . . . . 0.0 110.087 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -154.6 156.63 31.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -67.08 157.84 59.74 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.305 2.67 . . . . 0.0 110.281 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.4 tt0 -80.96 -2.21 46.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.198 0.599 . . . . 0.0 112.505 -176.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.52 133.27 47.48 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.26 2.58 79.97 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.341 -0.7 . . . . 0.0 114.361 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.4 p-90 -149.53 167.43 26.31 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 118.875 1.337 . . . . 0.0 112.299 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.22 167.13 18.92 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.56 -0.04 0.85 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.3 p -128.1 0.2 5.85 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.922 0.489 . . . . 0.0 112.307 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 92.0 m-20 -72.69 143.82 85.22 Favored Pre-proline 0 N--CA 1.454 -0.229 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 177.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 46.6 Cg_exo -59.28 157.36 30.88 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.258 2.639 . . . . 0.0 111.544 174.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 p -146.03 146.05 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -148.97 166.12 29.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.815 1.246 . . . . 0.0 110.112 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.81 156.44 26.89 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -148.95 169.22 21.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -135.2 147.88 49.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.637 1.175 . . . . 0.0 111.476 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -143.22 148.78 37.0 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -75.92 138.26 40.9 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.27 133.97 56.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.891 0.377 . . . . 0.0 110.455 -177.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.03 -0.68 89.37 Favored Glycine 0 CA--C 1.533 1.168 0 CA-C-O 119.065 -0.853 . . . . 0.0 113.534 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -83.84 -171.88 3.84 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.434 1.617 . . . . 0.0 107.266 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -123.6 98.28 40.74 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 122.82 0.448 . . . . 0.0 110.774 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -56.22 -19.73 28.72 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.305 2.67 . . . . 0.0 113.581 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -79.38 -15.44 57.87 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -134.52 -15.39 2.15 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.82 151.76 19.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.493 0.717 . . . . 0.0 112.144 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.8 148.29 79.01 Favored Pre-proline 0 N--CA 1.451 -0.381 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.66 154.58 59.52 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.884 2.389 . . . . 0.0 110.099 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 m -82.24 -16.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.99 153.79 14.6 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.063 0.945 . . . . 0.0 109.075 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -161.04 155.79 23.68 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -94.26 -12.73 27.54 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.812 0.845 . . . . 0.0 111.19 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -73.82 122.86 88.6 Favored Pre-proline 0 CA--C 1.534 0.355 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.68 -19.7 27.48 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.373 2.715 . . . . 0.0 112.418 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -95.35 -15.23 23.24 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -87.11 137.8 32.04 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.946 0.499 . . . . 0.0 110.426 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -89.98 179.69 5.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.05 0.54 . . . . 0.0 110.469 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.2 170.36 19.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 123.439 0.696 . . . . 0.0 111.381 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -58.44 146.3 35.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.791 0.436 . . . . 0.0 111.102 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.39 65.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.96 -10.04 51.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.302 0.501 . . . . 0.0 111.486 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.6 p -112.97 -9.14 13.63 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.37 132.55 54.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.636 0.374 . . . . 0.0 110.619 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.68 1.96 73.88 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.409 -0.662 . . . . 0.0 113.163 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -128.3 -35.03 2.02 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.277 1.039 . . . . 0.0 112.554 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.5 m-85 -86.51 139.28 31.02 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -157.09 147.12 20.87 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.3 mt -102.27 144.56 30.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -118.29 169.74 9.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.709 0.804 . . . . 0.0 110.739 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.58 173.79 34.59 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -93.87 135.01 35.64 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.438 HG13 ' H ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -67.91 -26.5 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-O 120.556 0.217 . . . . 0.0 110.45 179.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -79.94 -11.86 59.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.358 0.663 . . . . 0.0 110.563 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -99.56 11.37 39.34 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.165 0.986 . . . . 0.0 110.208 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 59.41 25.37 14.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.198 0.999 . . . . 0.0 112.912 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.04 141.9 37.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -125.67 9.69 7.71 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.06 0.544 . . . . 0.0 111.104 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -46.52 132.65 10.57 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.81 0.844 . . . . 0.0 111.612 -172.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.2 tp -116.38 148.26 40.81 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.88 0.872 . . . . 0.0 109.052 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.7 t -138.05 136.36 36.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.6 124.81 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -101.97 142.18 33.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.235 0.614 . . . . 0.0 109.686 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 45.2 58.19 4.27 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.72 148.75 15.69 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -171.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -136.28 166.24 23.9 Favored 'General case' 0 N--CA 1.46 0.039 0 C-N-CA 123.683 0.793 . . . . 0.0 109.558 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -61.18 -16.36 43.9 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -72.65 -18.41 61.57 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.02 0.528 . . . . 0.0 111.979 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.39 -15.01 56.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.724 0.41 . . . . 0.0 111.809 -176.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.542 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.24 131.52 45.93 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.54 -149.69 21.59 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.3 m -141.08 153.96 45.71 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.246 0.619 . . . . 0.0 110.227 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -147.31 166.81 25.99 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -142.37 158.85 43.25 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.165 0.586 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.25 31.8 t80 -94.68 154.52 17.28 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -133.77 132.7 40.82 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.56 0.344 . . . . 0.0 110.26 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.8 tp -103.95 145.8 29.6 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.457 1.103 . . . . 0.0 110.307 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -151.61 119.81 6.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -152.93 131.86 12.51 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.677 0.791 . . . . 0.0 109.449 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.18 -138.51 48.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -175.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.1 p -84.51 -8.29 58.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.047 0.423 . . . . 0.0 110.747 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 40.2 ttp -88.12 142.03 28.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.869 0.867 . . . . 0.0 111.539 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -153.47 151.78 30.23 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.288 0.635 . . . . 0.0 109.625 170.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.461 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.2 t-105 -153.66 154.9 35.03 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -173.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.9 t -120.31 127.36 52.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.835 0.454 . . . . 0.0 110.024 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.274 79.2 m-85 -83.09 62.64 6.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -176.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -138.59 162.1 35.44 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.16 0.584 . . . . 0.0 109.653 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.6 p -64.07 151.4 43.17 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -145.04 -166.66 2.47 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.144 0.978 . . . . 0.0 110.717 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -47.65 -31.91 5.09 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.566 1.147 . . . . 0.0 113.236 -176.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -152.25 -22.32 0.18 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.793 0.437 . . . . 0.0 111.801 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -71.12 147.43 48.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -146.04 151.0 37.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.945 0.402 . . . . 0.0 110.903 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.9 t -163.01 156.7 20.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.543 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -73.0 169.75 16.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.096 0.474 . . . . 0.0 110.939 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -137.67 165.29 26.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.99 0.916 . . . . 0.0 110.544 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.48 124.29 45.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.7 t -102.91 143.01 33.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 54.3 t -128.21 140.64 48.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 C-N-CA 122.833 0.453 . . . . 0.0 109.959 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.542 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.3 m-85 -128.39 146.7 50.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.1 t -133.79 143.36 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.212 0.605 . . . . 0.0 111.49 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -132.5 140.15 48.23 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.19 141.59 58.72 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.35 119.86 12.9 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.893 0.477 . . . . 0.0 109.714 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -147.6 1.99 0.71 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -150.15 29.06 0.73 Allowed 'General case' 0 C--O 1.231 0.13 0 C-N-CA 122.807 0.443 . . . . 0.0 111.378 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 88.11 158.44 33.33 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.7 p -78.08 148.81 34.07 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.661 0.784 . . . . 0.0 111.617 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 tt -84.25 -45.13 13.19 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 122.882 0.473 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.6 t 51.29 78.35 0.4 Allowed Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.47 175.86 10.47 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.866 3.044 . . . . 0.0 110.772 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.6 mmt-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.161 -0.924 . . . . 0.0 111.283 -178.364 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.8 tpp . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -68.25 161.0 28.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.815 0.446 . . . . 0.0 111.555 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.65 -3.12 78.16 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.729 -0.484 . . . . 0.0 112.528 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.3 t0 54.83 37.03 27.85 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.818 0.818 . . . . 0.0 112.641 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 ptt-85 -157.52 166.32 33.26 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.564 0.746 . . . . 0.0 109.561 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -87.12 160.88 18.39 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.252 65.0 t80 -61.08 128.58 37.11 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -172.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 80.94 5.98 89.76 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 119.448 -0.64 . . . . 0.0 113.566 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.61 152.5 45.28 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.659 1.229 . . . . 0.0 108.428 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.92 -15.9 13.9 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.313 -0.715 . . . . 0.0 113.412 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -85.89 121.12 28.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.459 1.13 . . . . 0.0 110.562 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 mt -138.88 151.89 47.34 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 123.138 0.575 . . . . 0.0 110.325 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -148.46 148.62 30.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.782 0.433 . . . . 0.0 110.042 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -130.84 126.44 36.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.491 ' H ' ' HE3' ' A' ' 128' ' ' LYS . 11.0 p -157.58 157.63 3.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 123.597 0.759 . . . . 0.0 110.846 -177.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.61 119.66 12.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -68.35 -20.68 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 tp -153.22 124.64 7.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.984 0.357 . . . . 0.0 110.282 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.16 147.2 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.462 1.105 . . . . 0.0 108.408 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.23 139.79 39.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -154.74 155.49 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 122.865 0.466 . . . . 0.0 111.38 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -84.96 158.7 20.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.026 -0.422 . . . . 0.0 110.104 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.27 143.33 48.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.28 0.232 . . . . 0.0 111.072 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.67 5.48 66.66 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.066 -0.852 . . . . 0.0 114.924 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.12 173.93 11.49 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.81 1.305 . . . . 0.0 111.302 177.007 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -91.98 167.12 12.33 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -170.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.61 155.96 5.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.345 1.058 . . . . 0.0 109.232 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -120.5 140.87 50.8 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.741 0.816 . . . . 0.0 110.296 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.41 88.34 30.09 Favored Pre-proline 0 C--N 1.333 -0.139 0 C-N-CA 123.898 0.879 . . . . 0.0 110.915 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.76 141.89 50.88 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 123.119 2.546 . . . . 0.0 111.285 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.8 p -162.95 166.95 23.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 111.206 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.2 p -154.03 169.62 23.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.009 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -138.01 168.88 18.8 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -147.38 149.56 33.0 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.475 0.71 . . . . 0.0 110.226 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -153.28 156.53 32.59 Favored Pre-proline 0 CA--C 1.53 0.195 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -174.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.66 154.44 74.41 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.274 2.649 . . . . 0.0 109.922 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -79.16 -0.67 32.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.784 0.434 . . . . 0.0 112.022 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.25 129.9 40.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.52 4.54 70.38 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.23 -0.761 . . . . 0.0 114.271 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.8 p-90 -151.14 165.86 32.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.626 1.213 . . . . 0.0 112.782 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.21 166.96 19.99 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -62.46 -13.83 34.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.8 t -92.43 -12.3 32.51 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.003 0.521 . . . . 0.0 111.617 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.07 156.17 91.04 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.65 173.07 14.99 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 124.012 3.142 . . . . 0.0 110.697 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.6 p -152.14 143.0 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 123.021 0.528 . . . . 0.0 110.943 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -149.61 163.88 36.67 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.776 0.83 . . . . 0.0 110.822 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.52 156.78 26.4 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -151.44 174.42 13.39 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -138.96 147.82 42.71 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.158 0.983 . . . . 0.0 112.141 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -142.84 150.77 40.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -76.53 136.35 39.3 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.87 136.99 57.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 122.077 -0.389 . . . . 0.0 110.661 -176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.33 -8.36 77.26 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.869 -0.961 . . . . 0.0 113.888 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 p30 -84.14 -171.36 3.56 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.51 1.655 . . . . 0.0 107.935 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HD3' ' CE1' ' A' ' 58' ' ' TYR . 41.1 ttm180 -128.58 116.17 19.61 Favored Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 177.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.56 -18.27 22.78 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.632 2.888 . . . . 0.0 114.782 -168.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.47 ' CE1' ' HD3' ' A' ' 56' ' ' ARG 0.326 15.5 p90 -90.93 3.1 55.51 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 117.241 2.311 . . . . 0.0 117.241 -178.009 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -134.43 10.14 3.74 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -151.37 161.47 42.65 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.82 153.0 83.05 Favored Pre-proline 0 N--CA 1.453 -0.276 0 C-N-CA 123.095 0.558 . . . . 0.0 111.588 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.41 159.36 43.42 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 123.439 2.759 . . . . 0.0 110.387 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.54 -15.62 10.92 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 175.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.17 18.34 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.009 0.924 . . . . 0.0 109.412 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -161.45 162.62 30.59 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.678 0.275 . . . . 0.0 111.215 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -112.95 -1.54 14.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.376 0.67 . . . . 0.0 110.729 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -73.61 128.46 87.0 Favored Pre-proline 0 N--CA 1.452 -0.369 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.57 -17.4 38.46 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.564 2.843 . . . . 0.0 112.997 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -108.75 -15.61 14.36 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -177.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -80.16 141.33 35.79 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.567 0.347 . . . . 0.0 110.09 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -89.42 -178.84 5.7 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.787 0.435 . . . . 0.0 110.67 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.97 169.34 16.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 123.756 0.823 . . . . 0.0 111.242 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -58.6 147.29 32.95 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.143 0.577 . . . . 0.0 111.519 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.7 63.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -87.41 -9.19 55.39 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.054 0.388 . . . . 0.0 111.091 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -117.81 -6.54 11.04 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.6 135.01 57.25 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 110.933 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 4.16 69.71 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.171 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -129.67 -39.43 1.45 Allowed 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.631 1.215 . . . . 0.0 112.688 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -80.05 138.14 36.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -156.73 153.24 28.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.406 0.282 . . . . 0.0 110.54 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.4 mt -108.4 144.27 36.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.656 0.382 . . . . 0.0 110.236 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.3 mt -119.1 170.64 8.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.17 0.988 . . . . 0.0 110.557 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.99 171.67 38.04 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.65 128.21 34.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.8 pt -71.32 -21.23 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -85.06 2.01 45.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.056 0.542 . . . . 0.0 111.213 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -119.49 15.6 12.91 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.028 0.931 . . . . 0.0 110.056 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 59.26 26.88 15.78 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.417 1.087 . . . . 0.0 113.587 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.25 140.36 38.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.6 p -127.41 8.63 6.53 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.104 0.562 . . . . 0.0 111.615 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.0 m -44.48 114.01 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.271 1.028 . . . . 0.0 111.665 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.1 tp -90.69 145.12 25.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -135.13 135.59 41.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 172.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.28 125.08 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -102.49 142.05 34.32 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 45.08 58.53 4.01 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.9 149.81 14.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -134.79 165.7 24.68 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 124.055 0.942 . . . . 0.0 109.302 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.19 -16.99 50.71 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -73.37 -16.88 61.33 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.565 0.746 . . . . 0.0 112.006 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -84.15 -12.14 55.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.023 0.529 . . . . 0.0 112.214 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -67.78 133.7 49.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.83 -151.91 23.83 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.5 m -139.78 152.92 46.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.209 0.603 . . . . 0.0 110.138 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -147.36 166.89 25.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -143.91 158.39 43.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.26 21.3 t80 -91.05 154.36 19.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -135.0 144.96 47.66 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 122.626 0.37 . . . . 0.0 110.058 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.9 tp -122.37 144.56 48.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -133.76 125.33 28.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 112' ' ' ARG . 15.0 tpt180 -152.61 114.02 4.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.51 -137.65 45.11 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 m -79.95 -4.71 53.6 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.753 0.277 . . . . 0.0 111.71 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 61.2 ttp -91.97 144.94 24.94 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.367 0.667 . . . . 0.0 111.621 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 148.71 39.1 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 173.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.409 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 69.6 t-105 -156.24 155.75 32.9 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-O 120.431 0.158 . . . . 0.0 110.975 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.3 p -128.17 130.35 47.91 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.227 0.611 . . . . 0.0 110.223 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.276 79.6 m-85 -83.16 56.8 3.65 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -129.88 152.08 49.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.022 0.529 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.4 m -65.64 153.16 42.41 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.876 0.47 . . . . 0.0 111.646 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -144.85 -166.09 2.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.98 0.912 . . . . 0.0 110.783 -175.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.863 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.7 mm? -52.01 -26.96 11.92 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.425 1.09 . . . . 0.0 112.494 -174.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -152.98 -23.34 0.15 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.022 0.529 . . . . 0.0 111.973 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -72.56 146.76 46.5 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -145.47 137.84 25.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.917 0.326 . . . . 0.0 111.478 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.1 t -161.51 154.08 20.27 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.717 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.491 ' HE3' ' H ' ' A' ' 15' ' ' VAL . 62.8 pttt -80.8 169.36 17.69 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.128 0.49 . . . . 0.0 110.711 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -133.99 168.75 18.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.594 0.758 . . . . 0.0 111.293 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.54 134.32 43.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.76 0.824 . . . . 0.0 109.033 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -113.63 143.03 45.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.9 t -127.89 139.21 52.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.2 m-85 -127.78 146.01 50.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.13 143.51 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.006 0.522 . . . . 0.0 111.177 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -133.15 143.41 49.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.79 140.36 56.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.975 0.417 . . . . 0.0 110.119 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.03 122.93 18.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -147.32 11.44 1.02 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.104 0.962 . . . . 0.0 113.27 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -155.08 179.08 9.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.307 1.043 . . . . 0.0 108.66 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.65 153.89 39.83 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.3 p -70.38 153.31 43.14 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.228 0.611 . . . . 0.0 111.534 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.8 tt -78.32 -45.16 23.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.523 0.729 . . . . 0.0 111.647 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.7 t 49.29 86.04 0.16 Allowed Pre-proline 0 CA--C 1.532 0.276 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.8 146.49 72.53 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.035 2.49 . . . . 0.0 110.801 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.558 -1.21 . . . . 0.0 111.442 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.625 0.25 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -62.86 153.86 31.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.405 0.682 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.87 -6.38 81.95 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.746 -0.474 . . . . 0.0 112.898 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -72.13 -6.22 41.05 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -158.45 179.58 9.0 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.202 1.001 . . . . 0.0 110.301 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -136.38 166.36 23.66 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.726 0.81 . . . . 0.0 109.081 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -52.63 124.43 13.71 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -172.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.13 1.44 89.98 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.693 -0.504 . . . . 0.0 113.97 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -66.45 151.89 46.27 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.656 1.228 . . . . 0.0 108.793 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.65 13.86 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.741 0.686 . . . . 0.0 112.836 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -84.54 120.76 26.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.235 1.017 . . . . 0.0 112.837 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.6 mt -140.03 152.36 46.18 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.595 0.358 . . . . 0.0 110.29 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.75 146.75 28.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -130.06 126.5 37.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.958 0.503 . . . . 0.0 109.695 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 31' ' ' CYS . 12.4 p -156.98 156.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.586 0.754 . . . . 0.0 110.507 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.76 117.43 7.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -67.54 -19.33 65.28 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 tp -153.53 125.23 7.7 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.116 0.416 . . . . 0.0 109.895 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -120.73 147.58 24.45 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 124.483 1.113 . . . . 0.0 108.258 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.23 140.56 41.76 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -155.57 154.03 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 122.561 0.344 . . . . 0.0 111.683 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -84.93 157.88 20.71 Favored 'General case' 0 CA--C 1.529 0.143 0 O-C-N 121.838 -0.539 . . . . 0.0 109.7 174.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -71.33 142.4 50.43 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.063 -0.398 . . . . 0.0 110.648 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.59 5.94 64.5 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.95 -0.917 . . . . 0.0 114.982 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -144.92 171.38 14.52 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.011 1.405 . . . . 0.0 111.577 176.307 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -91.74 163.66 14.0 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.25 151.01 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.35 1.06 . . . . 0.0 109.075 175.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -114.23 143.41 44.89 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.409 0.684 . . . . 0.0 110.345 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.5 87.89 25.83 Favored Pre-proline 0 N--CA 1.455 -0.19 0 C-N-CA 123.961 0.904 . . . . 0.0 110.998 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.3 143.16 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.143 2.562 . . . . 0.0 111.273 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' HB3' HG23 ' A' ' 15' ' ' VAL . 16.3 p -162.46 166.04 25.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.773 0.321 . . . . 0.0 111.198 178.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -153.01 169.17 23.55 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.047 0.539 . . . . 0.0 111.196 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -140.54 171.66 13.8 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 t -147.09 148.04 31.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.539 0.736 . . . . 0.0 110.336 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -154.54 155.27 30.48 Favored Pre-proline 0 N--CA 1.456 -0.163 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -174.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.07 157.71 60.6 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.252 2.635 . . . . 0.0 110.074 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.0 tt0 -80.29 -0.03 34.84 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.965 0.506 . . . . 0.0 112.197 -177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -67.97 129.05 38.74 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -177.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.85 4.51 72.35 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.236 -0.758 . . . . 0.0 114.394 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 67.2 p-90 -152.14 166.9 30.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.887 1.343 . . . . 0.0 111.898 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.17 165.69 22.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.1 -13.38 26.15 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 t -95.11 -13.35 25.17 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.619 0.368 . . . . 0.0 111.614 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.86 146.23 87.58 Favored Pre-proline 0 N--CA 1.455 -0.219 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -71.55 160.71 47.6 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.903 3.069 . . . . 0.0 109.861 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.5 145.47 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 122.779 0.432 . . . . 0.0 110.107 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -148.19 166.09 28.94 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.4 1.08 . . . . 0.0 110.302 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.43 157.65 27.26 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -151.03 170.75 18.62 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -174.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -135.33 147.77 49.23 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.59 1.156 . . . . 0.0 111.563 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -142.86 154.28 43.99 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.016 0.527 . . . . 0.0 110.783 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.49 146.58 36.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.76 142.86 58.25 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.09 -3.38 65.93 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.49 127.42 55.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.748 1.219 . . . . 0.0 112.727 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -84.0 136.29 41.41 Favored Pre-proline 0 CA--C 1.531 0.245 0 O-C-N 122.323 -0.236 . . . . 0.0 111.024 -174.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.66 8.63 2.58 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 124.26 3.307 . . . . 0.0 114.342 -171.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.297 19.2 p90 -125.99 6.89 7.27 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -134.37 10.77 3.79 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -158.02 161.31 38.08 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.68 151.53 91.31 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 123.449 0.7 . . . . 0.0 111.167 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.36 155.98 55.16 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.156 2.57 . . . . 0.0 109.938 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 m -83.83 -16.41 10.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 176.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 153.0 18.25 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.005 0.922 . . . . 0.0 109.573 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -161.54 165.06 29.08 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 122.739 0.415 . . . . 0.0 111.38 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -116.11 0.36 12.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.525 0.73 . . . . 0.0 110.785 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -73.72 134.63 78.55 Favored Pre-proline 0 N--CA 1.449 -0.516 0 C-N-CA 123.399 0.679 . . . . 0.0 109.25 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -75.17 -9.72 20.66 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 124.154 3.236 . . . . 0.0 113.961 -172.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -117.15 -26.74 6.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.537 0.608 . . . . 0.0 112.352 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.5 tpp85 -71.41 137.0 47.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.229 0.612 . . . . 0.0 110.845 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -92.07 -179.18 5.2 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.194 0.598 . . . . 0.0 110.381 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.15 171.75 16.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.729 0.812 . . . . 0.0 111.687 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -58.61 147.3 32.98 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 123.102 0.561 . . . . 0.0 111.232 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.19 63.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.397 0.279 . . . . 0.0 111.646 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -87.74 -7.26 57.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.934 0.334 . . . . 0.0 111.511 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.5 p -119.12 -7.77 10.28 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.22 134.47 57.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.924 0.393 . . . . 0.0 110.737 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.22 70.43 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.317 -0.713 . . . . 0.0 113.071 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -129.22 -35.87 1.76 Allowed 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.364 1.082 . . . . 0.0 112.589 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.6 m-85 -88.96 136.56 32.95 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -157.28 152.96 26.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.625 0.25 . . . . 0.0 110.552 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.7 mt -102.59 144.73 30.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.7 mt -117.81 169.27 9.74 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.902 0.881 . . . . 0.0 110.26 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.27 177.18 42.97 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -94.89 136.34 35.32 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -68.12 -29.08 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.612 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -79.29 -13.02 59.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.353 0.661 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -95.42 9.41 40.1 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.366 0.667 . . . . 0.0 109.752 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 59.09 27.69 16.74 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.255 1.022 . . . . 0.0 112.869 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -79.95 143.22 34.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.7 p -127.71 8.45 6.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.525 0.73 . . . . 0.0 111.141 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -44.6 122.06 2.95 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.112 0.965 . . . . 0.0 111.648 -172.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.0 tp -102.11 143.84 31.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -133.06 133.33 42.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.36 125.11 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -102.98 141.35 35.93 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 44.37 58.51 3.75 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.75 145.87 22.96 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -125.36 163.07 23.39 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -64.55 -9.82 21.72 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -78.5 -17.51 56.14 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.139 0.576 . . . . 0.0 111.984 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.01 -13.88 59.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.8 tttt -66.03 133.38 50.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.934 0.494 . . . . 0.0 109.863 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.43 -150.26 22.34 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.2 m -140.9 153.77 45.84 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 122.94 0.496 . . . . 0.0 110.079 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -147.09 165.39 30.07 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -173.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -138.84 156.72 47.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.207 0.603 . . . . 0.0 110.293 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -92.52 154.47 18.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -131.82 136.41 47.48 Favored 'General case' 0 C--N 1.338 0.068 0 C-N-CA 123.02 0.528 . . . . 0.0 110.41 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -110.15 143.42 40.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.053 0.941 . . . . 0.0 110.361 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -147.8 119.88 8.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.131 0.572 . . . . 0.0 109.87 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -153.67 129.86 10.43 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -139.61 47.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 t -81.71 -11.1 59.19 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.611 -0.346 . . . . 0.0 110.768 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -85.5 139.26 31.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.309 0.644 . . . . 0.0 111.845 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -143.66 142.39 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.382 1.473 . . . . 0.0 108.722 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -152.26 154.92 36.68 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.552 0.215 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.4 t -127.22 131.9 50.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.205 0.602 . . . . 0.0 109.898 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.3 80.9 m-85 -84.29 63.58 7.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -141.96 163.63 32.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.824 0.85 . . . . 0.0 109.772 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p -62.76 142.31 58.22 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.901 0.381 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -145.92 -177.7 5.73 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.54 1.136 . . . . 0.0 110.75 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.635 HD23 ' H ' ' A' ' 123' ' ' LEU . 0.9 OUTLIER -52.4 -37.94 57.77 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -170.352 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -133.15 19.3 4.05 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.562 0.619 . . . . 0.0 110.805 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -141.44 149.19 40.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -172.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.02 152.95 40.18 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 120.912 0.387 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.0 t -162.82 162.5 26.55 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.06 0.544 . . . . 0.0 110.834 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -76.52 170.74 15.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.598 0.359 . . . . 0.0 111.081 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -138.12 165.17 27.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.983 0.913 . . . . 0.0 110.059 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 tp -100.58 123.0 44.2 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.6 t -102.54 142.02 34.41 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.48 138.3 55.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.974 0.509 . . . . 0.0 109.798 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 32.0 m-85 -126.94 144.81 50.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.9 t -136.81 143.38 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -131.86 142.73 49.78 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.38 140.74 58.55 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.626 0.25 . . . . 0.0 110.661 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.35 121.64 18.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.6 t -144.07 -16.23 0.59 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -162.41 141.91 9.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.145 0.578 . . . . 0.0 109.465 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 61.87 -169.96 11.59 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.151 0.405 . . . . 0.0 113.265 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.4 t -160.6 145.63 14.46 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 124.237 1.015 . . . . 0.0 109.084 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.9 tt -78.73 -53.28 7.3 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.323 -0.236 . . . . 0.0 111.275 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.5 t 58.97 128.75 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -70.0 154.73 66.49 Favored 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.797 2.331 . . . . 0.0 111.046 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.25 -179.818 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 120.477 0.18 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 42.7 tp10 -70.7 147.62 48.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.83 0.452 . . . . 0.0 110.548 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.48 7.97 29.12 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.582 -0.566 . . . . 0.0 113.186 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.403 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 16.1 t0 -154.07 117.31 4.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.867 0.834 . . . . 0.0 111.595 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -153.55 169.56 22.92 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 123.924 0.89 . . . . 0.0 110.316 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -122.68 166.24 15.21 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.757 0.823 . . . . 0.0 109.183 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -56.56 130.94 47.25 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -172.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 79.16 3.86 88.58 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-O 119.774 -0.459 . . . . 0.0 113.39 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -66.84 152.26 45.94 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.721 1.261 . . . . 0.0 109.162 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.35 -16.22 14.47 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 123.851 0.739 . . . . 0.0 112.644 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.54 119.44 24.71 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.211 1.006 . . . . 0.0 112.231 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -136.75 159.12 42.8 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.542 0.337 . . . . 0.0 110.549 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -144.98 143.77 30.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.328 0.651 . . . . 0.0 109.68 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -130.33 113.6 14.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.74 155.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.276 0.63 . . . . 0.0 110.481 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.52 118.67 10.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.78 -18.53 64.21 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -153.84 124.4 7.12 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.396 0.544 . . . . 0.0 110.385 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.26 149.56 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.461 1.104 . . . . 0.0 108.373 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.81 139.51 38.23 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.58 156.03 5.76 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.079 0 C-N-CA 122.911 0.485 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -89.48 157.51 18.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.011 -0.431 . . . . 0.0 110.15 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.68 143.81 53.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.274 -0.267 . . . . 0.0 110.805 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.26 5.78 67.15 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.842 -0.977 . . . . 0.0 114.763 174.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -147.12 172.97 12.95 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.389 1.595 . . . . 0.0 111.748 177.083 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -91.69 167.61 12.07 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -155.38 156.81 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.807 1.243 . . . . 0.0 109.063 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -121.43 140.74 51.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.667 0.787 . . . . 0.0 109.961 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.29 90.18 25.85 Favored Pre-proline 0 N--CA 1.457 -0.114 0 C-N-CA 124.051 0.94 . . . . 0.0 110.843 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.01 144.1 46.49 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.259 2.64 . . . . 0.0 111.177 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.3 p -162.16 168.49 22.43 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.423 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.5 t -151.96 168.36 25.45 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.85 0.86 . . . . 0.0 110.689 -177.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -140.3 168.43 19.83 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -147.71 150.03 33.54 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.89 0.476 . . . . 0.0 109.935 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.9 155.98 33.98 Favored Pre-proline 0 CA--C 1.53 0.198 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -173.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.14 156.79 64.47 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.218 2.612 . . . . 0.0 109.819 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.2 tt0 -78.7 -1.2 33.34 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 112.102 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.12 127.91 34.77 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.44 4.84 67.76 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 119.15 -0.806 . . . . 0.0 114.58 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.459 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 65.9 p-90 -151.75 167.29 28.7 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 118.961 1.38 . . . . 0.0 112.358 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.39 164.47 22.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -60.42 -27.67 67.66 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -176.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -89.59 -3.44 58.29 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.3 149.35 91.53 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.38 160.44 49.53 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.809 3.006 . . . . 0.0 109.916 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.91 148.93 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.627 0.371 . . . . 0.0 110.158 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -148.97 164.05 35.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.653 1.181 . . . . 0.0 110.161 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.02 155.23 26.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -150.03 173.0 14.34 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -174.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -138.73 146.53 41.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.66 1.184 . . . . 0.0 111.266 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.01 151.46 40.86 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -74.19 144.81 44.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.2 135.95 49.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.31 -9.83 76.43 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.58 -0.567 . . . . 0.0 112.92 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -68.58 164.87 20.39 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -131.34 98.67 18.21 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 123.663 0.785 . . . . 0.0 109.141 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.41 -17.08 15.29 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 124.738 3.625 . . . . 0.0 116.011 -172.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.25 12.0 p90 -70.96 -17.22 62.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -137.24 -18.43 1.3 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.76 0.424 . . . . 0.0 111.701 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -80.19 153.13 28.79 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.66 140.6 33.58 Favored Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.68 155.26 58.99 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.715 2.277 . . . . 0.0 110.451 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 m -80.52 -17.2 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 122.233 -0.292 . . . . 0.0 111.264 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.91 150.28 11.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.365 1.066 . . . . 0.0 109.019 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 t -160.2 155.79 25.53 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -94.01 -13.18 27.24 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.695 0.798 . . . . 0.0 110.924 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -73.12 122.56 87.97 Favored Pre-proline 0 N--CA 1.453 -0.324 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.03 -19.5 22.97 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.461 2.774 . . . . 0.0 112.413 -176.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -94.31 -16.27 23.69 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -91.14 133.98 34.91 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -85.15 -178.79 6.88 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.913 0.485 . . . . 0.0 109.971 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.08 169.44 21.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.634 0.774 . . . . 0.0 111.48 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -58.41 145.34 38.82 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.836 0.454 . . . . 0.0 110.985 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.35 64.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -88.31 -9.49 52.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.286 0.494 . . . . 0.0 111.666 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.466 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.7 p -112.84 -7.97 13.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.1 131.55 51.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.923 0.392 . . . . 0.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.49 2.41 74.5 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.357 -0.69 . . . . 0.0 112.843 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -127.26 -33.9 2.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.381 1.091 . . . . 0.0 112.578 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.466 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.0 m-85 -88.24 140.22 29.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 175.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -156.77 146.43 20.73 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.7 mt -99.47 144.28 28.74 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 mt -116.16 171.2 7.96 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.658 0.783 . . . . 0.0 110.146 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.38 -156.55 51.27 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.252 6.7 p30 -137.2 144.41 42.84 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -24.66 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.632 0.773 . . . . 0.0 111.347 -177.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -81.29 6.66 13.51 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.218 0.607 . . . . 0.0 112.067 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.2 t -129.23 16.16 6.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.081 0.953 . . . . 0.0 109.546 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 59.49 20.5 8.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.716 1.206 . . . . 0.0 113.806 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -79.73 139.09 37.44 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.0 p -122.95 10.76 9.52 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.806 0.443 . . . . 0.0 111.843 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.8 m -44.56 133.99 5.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.768 0.827 . . . . 0.0 111.959 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.8 tp -119.87 148.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.99 0.916 . . . . 0.0 108.981 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.4 t -138.44 136.82 36.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 175.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.18 124.83 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -101.43 140.84 35.16 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.323 0.649 . . . . 0.0 109.42 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 46.1 55.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.68 150.5 12.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -141.95 168.42 19.78 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.806 0.842 . . . . 0.0 109.853 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.12 -16.45 32.29 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -73.52 -17.2 61.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.105 0.412 . . . . 0.0 111.928 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -83.92 -13.53 53.26 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.765 0.426 . . . . 0.0 111.739 -177.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.55 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.1 tttt -66.73 133.76 50.82 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.78 -149.93 22.01 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.6 m -139.17 152.85 47.74 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.134 0.574 . . . . 0.0 110.427 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -146.33 165.9 27.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -174.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -140.28 157.43 45.59 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.984 0.514 . . . . 0.0 111.729 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -87.93 154.6 20.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -132.09 133.5 44.4 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-O 120.694 0.283 . . . . 0.0 110.677 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.6 tp -105.46 143.55 33.47 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.303 1.041 . . . . 0.0 110.293 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -150.37 121.1 7.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 172.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -154.31 133.24 12.35 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 123.561 0.744 . . . . 0.0 109.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.8 -138.08 47.67 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -177.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.7 t -85.45 -1.8 57.44 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.735 0.414 . . . . 0.0 111.103 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 43.4 ttp -91.08 126.64 36.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.332 0.653 . . . . 0.0 112.173 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 143.58 50.98 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.419 1.088 . . . . 0.0 108.859 172.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.405 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.4 t-105 -157.3 153.11 26.9 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.871 0.305 . . . . 0.0 110.728 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.6 p -129.67 140.36 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.205 0.602 . . . . 0.0 109.692 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.291 79.5 m-85 -88.63 65.45 7.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -141.92 159.72 41.65 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.0 p -62.21 152.01 34.5 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.992 0.517 . . . . 0.0 111.85 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -142.36 -166.16 2.19 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.309 1.043 . . . . 0.0 110.237 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.844 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.9 mm? -52.82 -26.11 13.5 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.492 1.117 . . . . 0.0 112.641 -174.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -154.61 -27.81 0.12 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.307 0.643 . . . . 0.0 111.647 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -71.92 149.07 45.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 172.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -146.42 154.01 41.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.2 t -163.9 151.39 12.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.612 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -72.79 169.63 16.34 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.992 0.425 . . . . 0.0 111.006 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -135.37 169.99 16.64 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.703 0.801 . . . . 0.0 111.032 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.41 124.91 46.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.0 t -103.07 143.23 32.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.71 141.65 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.55 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 33.3 m-85 -129.77 145.89 51.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.1 t -136.16 143.22 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.642 0.377 . . . . 0.0 111.856 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.3 144.81 49.92 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.22 141.96 57.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.436 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.82 115.43 7.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.546 0.338 . . . . 0.0 110.402 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 t -150.8 5.24 0.5 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -135.46 19.76 3.36 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.18 0.992 . . . . 0.0 111.067 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 83.52 165.05 37.57 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 86.0 p -71.16 147.76 48.03 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 121.165 0.507 . . . . 0.0 111.552 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.1 tt -84.03 -46.55 11.89 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.129 0.571 . . . . 0.0 110.446 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 144' ' ' PRO . 2.8 t 59.67 131.19 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 126.001 1.72 . . . . 0.0 115.491 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 143' ' ' VAL . 76.1 Cg_exo -53.46 144.49 50.64 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.0 2.467 . . . . 0.0 112.069 176.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.433 -177.224 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 tpp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.694 -0.113 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -68.78 158.24 34.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 111.335 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.05 -5.69 87.13 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.992 -0.338 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.282 80.4 m-20 59.33 24.64 13.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -154.74 172.05 18.56 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.005 0.922 . . . . 0.0 109.869 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.96 157.53 15.86 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.26 28.3 t80 -61.47 130.39 45.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -175.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 86.54 4.37 83.17 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.874 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -61.0 146.32 47.51 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.364 1.082 . . . . 0.0 112.134 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 -15.49 16.16 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.172 -0.793 . . . . 0.0 113.098 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -82.97 115.68 21.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.632 1.216 . . . . 0.0 112.378 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -136.89 151.02 48.61 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -148.52 148.22 29.96 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.997 0.519 . . . . 0.0 109.824 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -130.75 127.84 39.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' ' 31' ' ' CYS . 11.7 p -157.59 156.29 4.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.716 0.806 . . . . 0.0 110.571 -176.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.93 118.89 10.38 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 175.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.96 -17.26 62.67 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.3 tp -153.0 123.98 7.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 118.077 0.399 . . . . 0.0 110.119 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 t -119.78 148.42 22.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.504 1.121 . . . . 0.0 108.447 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.6 141.68 41.28 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.16 155.42 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 C-N-CA 122.723 0.409 . . . . 0.0 111.261 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -87.48 157.99 19.06 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.88 -0.513 . . . . 0.0 109.813 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.57 142.08 50.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.173 -0.329 . . . . 0.0 111.578 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 6.62 67.66 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.823 -0.987 . . . . 0.0 114.364 175.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.07 172.29 13.28 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 175.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -92.18 167.07 12.3 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -170.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.43 156.53 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.406 1.082 . . . . 0.0 109.348 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -122.05 139.97 53.07 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.557 0.743 . . . . 0.0 109.725 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 t -132.41 89.76 35.68 Favored Pre-proline 0 C--O 1.232 0.178 0 C-N-CA 124.37 1.068 . . . . 0.0 110.917 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.76 140.48 42.8 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 123.081 2.521 . . . . 0.0 111.197 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.456 ' HB3' HG23 ' A' ' 15' ' ' VAL . 15.6 p -161.93 166.2 26.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.226 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -154.62 170.23 22.0 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 122.769 0.428 . . . . 0.0 110.958 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -138.9 169.66 17.39 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -147.02 149.93 34.1 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.687 0.795 . . . . 0.0 110.084 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.412 ' CD2' ' HE1' ' A' ' 115' ' ' MET . 12.0 p90 -152.07 157.4 34.13 Favored Pre-proline 0 N--CA 1.454 -0.239 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -173.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.33 159.32 53.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.292 2.661 . . . . 0.0 110.275 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.46 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 52.4 tt0 -80.14 -2.21 43.64 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -70.42 132.32 45.42 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.75 77.36 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 119.153 -0.804 . . . . 0.0 114.057 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.1 p-90 -149.05 167.55 25.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.965 1.382 . . . . 0.0 112.302 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.88 167.2 19.35 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.11 -11.91 16.64 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.3 m -101.35 -6.02 24.63 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -77.36 146.14 73.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -71.25 160.06 50.03 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.869 3.046 . . . . 0.0 109.893 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.44 141.03 22.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -149.08 170.58 18.07 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.242 1.017 . . . . 0.0 110.461 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.56 160.07 28.03 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -149.43 171.61 16.29 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -174.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -135.77 149.89 49.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.288 1.035 . . . . 0.0 111.809 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -145.61 149.47 34.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -75.28 137.23 41.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.03 134.56 57.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 110.374 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.68 -4.31 85.87 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 118.859 -0.967 . . . . 0.0 113.533 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -83.64 -173.94 5.0 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.1 1.45 . . . . 0.0 107.616 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -115.92 98.34 50.91 Favored Pre-proline 0 CA--C 1.529 0.172 0 C-N-CA 123.07 0.548 . . . . 0.0 109.804 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -70.55 -15.46 34.13 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.027 2.485 . . . . 0.0 112.668 -170.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.294 15.9 p90 -87.36 -2.84 58.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 178.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -134.56 -29.7 1.17 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.133 0.173 . . . . 0.0 111.115 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -85.64 157.64 20.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.427 0.691 . . . . 0.0 110.705 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 150.94 83.39 Favored Pre-proline 0 CA--C 1.533 0.298 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -72.99 152.55 51.71 Favored 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 123.071 2.514 . . . . 0.0 110.302 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -81.44 -16.4 12.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.33 153.2 17.46 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.63 0.772 . . . . 0.0 109.46 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.0 t -161.14 162.12 31.32 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.677 0.275 . . . . 0.0 111.681 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -108.91 0.29 20.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.654 0.782 . . . . 0.0 110.78 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -68.83 129.67 92.22 Favored Pre-proline 0 N--CA 1.453 -0.315 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -71.55 -17.14 30.27 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.223 2.616 . . . . 0.0 113.094 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -114.84 -17.19 11.62 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.69 125.55 34.46 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -177.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.99 176.05 10.16 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.796 0.438 . . . . 0.0 110.679 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 m -124.57 176.33 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.586 0.754 . . . . 0.0 111.901 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -58.49 143.5 45.51 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 122.665 0.386 . . . . 0.0 110.954 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -20.94 66.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -83.3 -6.36 59.44 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.212 -0.305 . . . . 0.0 111.464 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p -126.39 -2.36 6.86 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -59.88 131.51 51.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -176.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.26 58.93 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.366 -0.686 . . . . 0.0 113.325 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 79' ' ' ARG . 37.9 mtm105 -119.61 -36.21 3.38 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.692 1.246 . . . . 0.0 111.256 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -88.25 139.4 30.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 174.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -157.26 152.51 26.19 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 122.307 0.243 . . . . 0.0 110.574 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.8 mt -106.93 145.18 32.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.792 0.329 . . . . 0.0 110.475 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -118.01 168.65 10.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.104 0.961 . . . . 0.0 110.361 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.85 173.81 45.91 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.99 139.45 30.6 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -28.06 37.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.875 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -82.97 -11.76 57.87 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 122.703 0.401 . . . . 0.0 111.095 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -93.56 7.53 44.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.514 0.725 . . . . 0.0 110.131 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 58.03 28.46 16.31 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.813 0.845 . . . . 0.0 112.503 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -78.74 142.61 36.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.2 p -128.28 8.65 6.06 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 111.255 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -44.94 115.66 0.93 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.128 0.971 . . . . 0.0 111.796 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.8 tp -93.08 146.11 23.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.1 t -135.46 134.05 39.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 172.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -107.44 125.2 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -103.18 140.35 37.47 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 46.27 58.73 4.27 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 151.1 17.26 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -134.47 162.73 31.43 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 124.016 0.926 . . . . 0.0 109.668 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -58.43 -22.65 55.01 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -72.9 -20.89 60.99 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.528 0.731 . . . . 0.0 111.819 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.31 -11.94 60.16 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 85.9 tttt -64.96 131.7 47.32 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.187 0.595 . . . . 0.0 109.563 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.08 -151.92 23.38 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.1 m -140.62 154.84 46.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.06 0.544 . . . . 0.0 110.477 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -147.35 166.17 27.95 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -173.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -141.9 158.78 43.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.316 0.646 . . . . 0.0 110.011 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.261 24.0 t80 -96.66 154.33 17.35 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -130.9 133.61 46.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.698 0.399 . . . . 0.0 110.79 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.1 tp -102.9 144.78 30.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.185 0.994 . . . . 0.0 110.6 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -151.36 120.25 6.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.824 0.45 . . . . 0.0 109.871 173.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -153.61 130.65 11.04 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 123.91 0.884 . . . . 0.0 108.978 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.16 -138.29 45.71 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -176.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.2 m -84.84 -1.52 56.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.071 0.436 . . . . 0.0 111.801 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.412 ' HE1' ' CD2' ' A' ' 35' ' ' TYR . 44.3 ttp -91.84 135.27 34.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.573 0.749 . . . . 0.0 111.164 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -142.13 145.7 34.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.867 1.267 . . . . 0.0 109.451 177.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 68.7 t-105 -157.05 156.91 33.66 Favored 'General case' 0 C--O 1.23 0.042 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.0 t -128.57 132.96 48.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.452 0.701 . . . . 0.0 110.141 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.297 79.5 m-85 -86.39 67.63 9.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -173.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -144.71 163.67 33.3 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.301 0.64 . . . . 0.0 109.689 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.6 p -61.87 146.81 48.62 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 122.594 0.358 . . . . 0.0 111.367 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -145.93 -171.37 3.69 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.542 1.137 . . . . 0.0 110.6 -175.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.88 HD22 ' H ' ' A' ' 123' ' ' LEU . 1.2 mm? -61.16 -31.05 70.79 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.836 0.854 . . . . 0.0 112.709 -170.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -139.48 12.64 2.55 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 123.267 0.627 . . . . 0.0 110.565 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.26 12.6 t80 -133.79 148.28 51.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -174.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.19 143.17 29.09 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.6 0.238 . . . . 0.0 110.534 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -158.32 158.61 34.69 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.959 0.504 . . . . 0.0 110.32 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.68 169.19 18.74 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 121.055 0.455 . . . . 0.0 111.191 -178.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -137.31 165.51 26.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.935 0.894 . . . . 0.0 110.431 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.54 126.98 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.8 t -105.91 143.06 34.59 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.28 139.02 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.577 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 31.2 m-85 -127.78 146.92 50.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.29 143.46 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.316 0.646 . . . . 0.0 111.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 m -134.87 145.61 48.44 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.81 141.0 58.93 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 110.962 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.62 111.28 8.61 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.0 t -154.97 -1.2 0.16 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -150.34 2.03 0.47 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.58 -165.94 34.68 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.3 p -152.15 152.47 32.33 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.795 0.438 . . . . 0.0 109.908 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 142' ' ' LEU . 8.1 tt -81.8 -59.62 2.53 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 122.418 0.287 . . . . 0.0 110.88 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 144' ' ' PRO . 2.4 t 58.61 127.09 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 143' ' ' VAL . 50.1 Cg_exo -59.07 156.36 34.56 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.981 2.454 . . . . 0.0 112.833 176.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.555 -1.212 . . . . 0.0 110.36 178.511 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 tpp . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -66.54 155.73 36.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 111.182 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.28 2.38 62.72 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -151.69 23.48 0.69 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -80.77 176.18 10.03 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.118 0.567 . . . . 0.0 109.831 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -138.52 166.72 23.59 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.66 128.35 29.06 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 -171.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 88.4 -0.91 83.8 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.834 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.3 146.72 38.53 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.97 -15.84 19.1 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 123.615 0.626 . . . . 0.0 112.906 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.6 119.08 24.79 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.2 1.0 . . . . 0.0 112.989 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -138.88 150.81 46.39 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.609 0.364 . . . . 0.0 110.758 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.22 146.92 28.88 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.836 0.454 . . . . 0.0 110.354 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -127.69 128.98 46.37 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.271 0.628 . . . . 0.0 109.548 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -160.29 156.79 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.516 0.726 . . . . 0.0 110.773 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.32 120.22 12.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -67.97 -20.91 65.08 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -174.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -153.85 123.67 6.78 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 118.043 0.383 . . . . 0.0 110.343 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 t -118.77 147.88 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 124.456 1.102 . . . . 0.0 108.282 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.66 140.68 40.97 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -154.59 154.31 7.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 122.738 0.415 . . . . 0.0 111.455 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -85.85 157.95 20.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.988 -0.445 . . . . 0.0 109.901 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.69 141.26 49.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.249 -0.282 . . . . 0.0 111.034 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.77 6.65 63.58 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.021 -0.877 . . . . 0.0 114.968 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -145.98 175.71 10.24 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.858 1.329 . . . . 0.0 111.707 176.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -91.53 168.43 11.52 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -169.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.6 154.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.653 1.181 . . . . 0.0 109.26 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -119.39 139.63 51.69 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.693 0.797 . . . . 0.0 110.018 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -134.17 90.54 25.45 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.173 0.989 . . . . 0.0 111.561 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -65.13 147.55 88.53 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.464 2.776 . . . . 0.0 111.478 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 40.8 t -157.39 150.73 23.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.563 0.745 . . . . 0.0 110.802 -175.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.8 p -151.95 162.81 40.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.385 0.674 . . . . 0.0 111.013 176.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -140.97 170.31 15.98 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -147.19 145.95 29.67 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.818 0.847 . . . . 0.0 109.865 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -153.44 155.57 31.74 Favored Pre-proline 0 C--O 1.232 0.177 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.37 157.79 60.1 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.38 2.72 . . . . 0.0 110.479 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 53.3 tt0 -79.16 -1.25 35.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.995 0.518 . . . . 0.0 112.13 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.07 130.13 42.19 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.49 4.63 80.03 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.164 -0.798 . . . . 0.0 114.508 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.0 p-90 -150.86 164.77 35.47 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.045 1.422 . . . . 0.0 112.835 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.13 168.29 17.02 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.63 -12.08 30.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -97.42 -11.87 23.39 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.01 0.524 . . . . 0.0 111.519 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.19 147.91 93.63 Favored Pre-proline 0 N--CA 1.455 -0.184 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.55 163.12 39.48 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.802 3.001 . . . . 0.0 110.385 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.53 142.63 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -147.75 161.34 41.43 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.932 0.893 . . . . 0.0 110.261 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.43 156.86 27.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -151.72 170.98 18.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -175.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -135.38 145.85 47.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.606 1.162 . . . . 0.0 111.197 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -141.29 150.87 43.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -76.09 136.91 39.87 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.1 134.92 53.07 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.975 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.61 -9.13 72.32 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 118.957 -0.913 . . . . 0.0 113.911 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 p30 -82.06 -179.18 7.3 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.365 1.582 . . . . 0.0 107.715 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -104.19 123.33 41.1 Favored Pre-proline 0 CA--C 1.529 0.163 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 173.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -72.99 -3.9 14.46 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.729 2.286 . . . . 0.0 111.964 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.294 9.3 p90 -122.35 7.69 9.63 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -133.96 2.69 3.4 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.774 0.43 . . . . 0.0 110.83 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -149.75 163.1 38.89 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.59 150.4 73.01 Favored Pre-proline 0 N--CA 1.455 -0.211 0 C-N-CA 122.964 0.505 . . . . 0.0 111.358 -176.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.83 156.62 62.71 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.685 2.923 . . . . 0.0 110.169 173.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -85.64 -15.78 10.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -163.46 144.93 9.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.495 0.718 . . . . 0.0 110.316 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -168.91 165.13 11.65 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.469 0.708 . . . . 0.0 110.789 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -116.26 -5.14 11.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.409 0.684 . . . . 0.0 112.054 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.471 HD21 ' HB3' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -72.52 154.38 91.64 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -84.97 -12.96 6.85 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 124.18 3.253 . . . . 0.0 113.034 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -99.32 -4.68 31.2 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 117.456 2.391 . . . . 0.0 117.456 -171.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HB3' HD21 ' A' ' 67' ' ' ASN . 10.7 tpt180 -142.34 124.45 15.4 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.005 0.522 . . . . 0.0 110.347 -176.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -84.98 178.55 7.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.293 0.637 . . . . 0.0 110.441 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.11 171.87 2.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -58.63 146.85 34.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.487 0.715 . . . . 0.0 111.709 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.8 64.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -85.93 -11.21 53.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.107 0.412 . . . . 0.0 111.141 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.8 p -113.66 -1.7 13.96 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -60.47 131.5 50.95 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.53 1.62 52.97 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 118.739 -1.034 . . . . 0.0 113.504 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.1 mtm105 -120.65 -35.83 3.3 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.932 1.366 . . . . 0.0 112.315 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 4.3 m-85 -83.82 140.25 32.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -156.74 146.49 20.82 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.5 mt -99.35 141.76 31.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.9 mt -113.45 -9.57 13.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.666 0.386 . . . . 0.0 111.387 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.06 143.07 22.82 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.08 127.03 31.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -24.85 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.556 0.343 . . . . 0.0 111.248 -177.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -89.93 6.06 43.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.157 0.583 . . . . 0.0 111.729 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -123.77 14.77 9.37 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.737 0.815 . . . . 0.0 110.687 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 57.53 24.23 10.11 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.121 0.969 . . . . 0.0 112.995 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -89.8 152.5 21.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.421 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 1.8 p -135.0 16.7 3.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.725 0.81 . . . . 0.0 111.921 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -52.16 134.76 32.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.756 0.422 . . . . 0.0 111.335 -175.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -119.36 151.56 38.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.319 1.048 . . . . 0.0 109.082 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.6 t -141.85 141.67 33.1 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.93 124.71 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -102.27 142.15 33.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 46.33 57.38 5.4 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.55 149.8 13.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -139.3 166.63 24.04 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.759 0.824 . . . . 0.0 109.874 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.61 -13.26 20.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -75.75 -16.48 60.12 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.907 0.483 . . . . 0.0 111.748 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -84.47 -14.76 48.28 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.6 0.36 . . . . 0.0 111.486 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.57 ' HE3' ' CD2' ' A' ' 133' ' ' PHE . 86.3 tttt -67.28 133.33 49.48 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.59 -149.44 21.38 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.9 m -141.26 153.59 45.31 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 123.061 0.545 . . . . 0.0 110.295 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -147.54 164.91 31.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -173.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -141.61 156.75 45.66 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.178 0.591 . . . . 0.0 109.647 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -92.05 154.57 18.67 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -130.72 130.26 43.58 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.534 0.333 . . . . 0.0 110.161 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.7 tp -100.64 144.8 29.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.772 0.829 . . . . 0.0 110.472 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -148.1 118.77 7.5 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.73 0.412 . . . . 0.0 110.066 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -153.84 131.95 11.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.351 0.66 . . . . 0.0 109.348 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.15 -140.78 47.7 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.5 p -83.82 -6.13 59.36 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.243 -0.563 . . . . 0.0 110.85 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -89.53 139.72 30.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.243 0.617 . . . . 0.0 112.14 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -143.56 142.13 30.97 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.251 1.42 . . . . 0.0 108.786 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 67.7 t-105 -152.57 149.54 28.59 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.0 m -120.17 133.22 55.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.113 0.565 . . . . 0.0 110.652 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.325 75.8 m-85 -83.53 62.74 6.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -174.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -141.53 156.73 45.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.3 m -65.2 153.35 41.21 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.798 0.439 . . . . 0.0 111.481 -177.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -147.59 -167.1 2.7 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.556 0.742 . . . . 0.0 110.433 -175.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 123' ' ' LEU . 2.1 pt? -51.7 -37.88 52.71 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -175.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -136.51 12.05 3.22 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.101 0.56 . . . . 0.0 111.243 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . 0.287 39.0 t80 -126.01 151.43 47.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -173.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -145.67 134.03 21.85 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 123.145 0.578 . . . . 0.0 111.077 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.3 t -157.28 144.04 18.26 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.0 0.92 . . . . 0.0 109.199 172.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -70.42 167.16 18.84 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 121.384 0.611 . . . . 0.0 111.346 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.8 171.06 13.98 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.931 0.892 . . . . 0.0 111.062 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.5 129.31 46.44 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.554 0.742 . . . . 0.0 109.011 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 t -108.63 143.15 38.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 172.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 51.5 t -128.74 141.57 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.04 0.536 . . . . 0.0 109.723 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.57 ' CD2' ' HE3' ' A' ' 103' ' ' LYS . 34.5 m-85 -130.48 146.16 51.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.46 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.842 0.457 . . . . 0.0 111.324 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.4 m -133.4 142.36 48.32 Favored 'General case' 0 N--CA 1.458 -0.066 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 141.62 58.67 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.749 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.2 120.8 16.42 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -145.18 -18.06 0.49 Allowed 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 177.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -160.97 137.18 8.36 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.408 0.683 . . . . 0.0 109.227 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 63.67 -175.27 9.95 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 123.127 0.394 . . . . 0.0 113.081 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.3 t -160.98 149.7 16.37 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.903 0.881 . . . . 0.0 109.24 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.9 tt -79.15 -53.2 7.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -175.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 2.3 t 46.57 87.71 0.11 Allowed Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 143' ' ' VAL . 74.7 Cg_endo -70.05 163.12 39.66 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.639 2.893 . . . . 0.0 110.773 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 . . . . . 0 C--O 1.252 1.192 0 CA-C-O 117.146 -1.407 . . . . 0.0 110.977 179.613 . . . . . . . . 0 0 . 1 stop_ save_